Crystal structure and properties of perovskite-type rubidium niobate, a high-pressure phase of RbNbO3. International journal

Ayako Yamamoto, Kimitoshi Murase, Takeru Sato, Kazumasa Sugiyama, Toru Kawamata, Yoshiyuki Inaguma, Jun-Ichi Yamaura, Kazuki Shitara, Rie Yokoi, Hiroki Moriwake

Dalton transactions (Cambridge, England : 2003)   53 ( 16 )   7044 - 7052   2024.4

Phase Identification of 850 nm Thick 7%YO_1.5–93%HfO₂ Films by Surface and Cross-Sectional Raman Spectroscopies

Takanori Mimura, Yuma Takahashi, Takahisa Shiraishi, Masanori Kodera, Reijiro Shimura, Keisuke Ishihama, Kazuki Okamoto, Hiroki Moriwake, Ayako Taguchi, Takao Shimizu, Yasuhiro Fujii, Akitoshi Koreeda, Hiroshi Funakubo

ACS Applied Electronic Materials   6 ( 4 )   2500 - 2506   2024.4

Point-defect chemistry for ionic conduction in solid electrolytes with isovalent cation mixing

Takafumi Ogawa, Kazuyuki Sato, Kazuhiro Mori, Shunsuke Kobayashi, Hiroki Moriwake, Yuichi Ikuhara, Akihide Kuwabara

Journal of Materials Chemistry A   2024

Collaborative research between first-principles calculations and atomic resolution electron microscope on the influence of grain boundary/domain boundary in the Li-ion battery materials

Hiroki Moriwake

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   131 ( 9 )   506 - 514   2023.9

Sodium-ion migration in secondary battery cathode material Na4Co3(PO4)2P2O7: A first-principles molecular dynamics study

Hiroki Moriwake, Akihide Kuwabara, Craig A. J. Fisher, Keiichi Kohama, Masafumi Nose, Shinji Nakanishi, Hideki Iba, Yuichi Ikuhara

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   131 ( 7 )   279 - 283   2023.7

Chemical design of a new displacive-type ferroelectric. International journal

Mitsuru Itoh, Yosuke Hamasaki, Hiroshi Takashima, Rie Yokoi, Ayako Taguchi, Hiroki Moriwake

Dalton transactions (Cambridge, England : 2003)   51 ( 7 )   2610 - 2630   2022.2

Atomic-Level Changes during Electrochemical Cycling of Oriented LiMn₂O₄ Cathodic Thin Films International journal

Yumi H. Ikuhara, Xiang Gao, Kazuaki Kawahara, Craig A. J. Fisher, Akihide Kuwabara, Ryo Ishikawa, Hiroki Moriwake, Yuichi Ikuhara

ACS Applied Materials & Interfaces   14 ( 5 )   6507 - 6517   2022.2

Oxide-ion diffusion in brownmillerite-type Ca2AlMnO5+δ from first-principles calculations International journal

Ushio Matsumoto, Akihide Kuwabara, Craig A. J. Fisher, Hiroki Moriwake, Isao Tanaka

Physical Chemistry Chemical Physics   24 ( 3 )   1503 - 1509   2022

Microscopic dynamics of lithium diffusion in single crystal of the solid-state electrolyte La2/3−xLi3xTiO3 ( x=0.13 ) studied by quasielastic neutron scattering

Masato Matsuura, Yasuyuki Fujiwara, Hiroki Moriwake, Koji Ohara, Yukinobu Kawakita

Physical Review B   104 ( 9 )   2021.9

Structure of Liquid BaTiO₃ by First-principles Molecular Dynamics Simulations

Tamotsu Hashimoto, Hiroki Moriwake

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN   90 ( 4 )   2021.4

Lamellar-like nanostructure in a relaxor ferroelectrics Pb(Mg<inf>1/3</inf>Nb<inf>2/3</inf>)O<inf>3</inf>

Yukio Sato, Syota Fujinaka, Syo Yamaguchi, Ryo Teranishi, Kenji Kaneko, Takao Shimizu, Hiroki Taniguchi, Hiroki Moriwake

Journal of Materials Science   56 ( 2 )   1231 - 1241   2021.1

A computational search for wurtzite-structured ferroelectrics with low coercive voltages

Hiroki Moriwake, Rie Yokoi, Ayako Taguchi, Takafumi Ogawa, Craig A. J. Fisher, Akihide Kuwabara, Yukio Sato, Takao Shimizu, Yosuke Hamasaki, Hiroshi Takashima, Mitsuru Itoh

APL Materials   8 ( 12 )   121102 - 121102   2020.12

Quantitative prediction of grain boundary thermal conductivities from local atomic environments Reviewed International journal

Susumu Fujii, Tatsuya Yokoi, Craig A.J. Fisher, Hiroki Moriwake, Masato Yoshiya

Nature Communications   11 ( 1 )   1854 - 1854   2020.12

Revealing Spatial Distribution of Al-Coordinated Species in a Phase-Separated Aluminosilicate Glass by STEM-EELS

Kunyen Liao, Atsunobu Masuno, Ayako Taguchi, Hiroki Moriwake, Hiroyuki Inoue, Teruyasu Mizoguchi

Journal of Physical Chemistry Letters   11 ( 22 )   9637 - 9642   2020.11

Revealing Spatial Distribution of Al-Coordinated Species in a Phase-Separated Aluminosilicate Glass by STEM-EELS. International journal

Kunyen Liao, Atsunobu Masuno, Ayako Taguchi, Hiroki Moriwake, Hiroyuki Inoue, Teruyasu Mizoguchi

The journal of physical chemistry letters   11 ( 22 )   9637 - 9642   2020.11

Revealing Spatial Distribution of Al-Coordinated Species in a Phase-Separated Aluminosilicate Glass by STEM-EELS International journal

Kunyen Liao, Atsunobu Masuno, Ayako Taguchi, Hiroki Moriwake, Hiroyuki Inoue, Teruyasu Mizoguchi

JOURNAL OF PHYSICAL CHEMISTRY LETTERS   11 ( 22 )   9637 - 9642   2020.11

First-Principles Study on the Stability of Weberite-Type, Pyrochlore, and Defect-Fluorite Structures of A23+B24+O7 (A = Lu3+–La3+, B = Zr4+, Hf4+, Sn4+, and Ti4+)

Ushio Matsumoto, Takafumi Ogawa, Satoshi Kitaoka, Hiroki Moriwake, Isao Tanaka

The Journal of Physical Chemistry C   124 ( 37 )   20555 - 20562   2020.9

Charge order of bismuth ions and nature of chemical bonds in double perovskite-type oxide BaBiO<inf>3</inf>visualized by synchrotron radiation X-ray diffraction

Qing Zhao, Tomohiro Abe, Chikako Moriyoshi, Sangwook Kim, Ayako Taguchi, Hiroki Moriwake, Hong Tao Sun, Yoshihiro Kuroiwa

Japanese Journal of Applied Physics   59 ( 9 )   2020.9

Fabrication and characterization of ReO<inf>3</inf>-type dielectric films

Masanori Kodera, Ayako Taguchi, Takao Shimizu, Hiroki Moriwake, Hiroshi Funakubo

Journal of Materials Chemistry C   8 ( 14 )   4680 - 4684   2020.4

Structure of amorphous BaTiO<inf>3</inf> by molecular dynamics simulations using a shell model

Tamotsu Hashimoto, Hiroki Moriwake

Physica B: Condensed Matter   579   2020.2

Investigation of ferrimagnetism and ferroelectricity in AlxFe2-xO3 thin films Reviewed

Badari Narayana Rao, Shintaro Yasui, Tsukasa Katayama, Ayako Taguchi, Hiroki Moriwake, Yosuke Hamasaki, Mitsuru Itoh

JOURNAL OF MATERIALS CHEMISTRY C   8 ( 2 )   706 - 714   2020.1

Ferroelectric Materials Study Using First-principles Calculations

Moriwake Hiroki, Taguchi Ayako

Materia Japan   59 ( 2 )   78 - 83   2020

Functional ceramics materials study using first-principle calculations -Toward materials informatics for material design-

Hiroki Moriwake

Funtai Oyobi Fummatsu Yakin/Journal of the Japan Society of Powder and Powder Metallurgy   67 ( 9 )   493 - 498   2020

Investigation of ferrimagnetism and ferroelectricity in Al<inf>: X</inf>Fe<inf>2- x</inf>O<inf>3</inf> thin films

Badari Narayana Rao, Shintaro Yasui, Tsukasa Katayama, Ayako Taguchi, Hiroki Moriwake, Yosuke Hamasaki, Mitsuru Itoh

Journal of Materials Chemistry C   8 ( 2 )   706 - 714   2020

Atomic-Scale Observation of Titanium-Ion Shifts in Barium Titanate Nanoparticles: Implications for Ferroelectric Applications

Yukio Sato, Mai Aoki, Ryo Teranishi, Kenji Kaneko, Masaki Takesada, Hiroki Moriwake, Hiroshi Takashima, Yukiya Hakuta

ACS Applied Nano Materials   2 ( 9 )   5761 - 5768   2019.9

Weak Ferroelectricity in n = 2 Pseudo Ruddlesden-Popper-Type Niobate Li<inf>2</inf>SrNb<inf>2</inf>O<inf>7</inf> Reviewed

Takayuki Nagai, Hirokazu Shirakuni, Akitoshi Nakano, Hiroshi Sawa, Hiroki Moriwake, Ichiro Terasaki, Hiroki Taniguchi

Chemistry of Materials   31 ( 16 )   6257 - 6261   2019.8

First-principles study of the ferroelectric phase of AgNbO3

Hiroki Moriwake, Ayako Konishi, Takafumi Ogawa, Craig A.J. Fisher, Akihide Kuwabara, Desheng Fu

Nanoscale Ferroelectric-Multiferroic Materials for Energy Harvesting Applications   137   2019.2

Oxygen loss and surface degradation during electrochemical cycling of lithium-ion battery cathode material LiMn<inf>2</inf>O<inf>4</inf> Reviewed

Xiang Gao, Yumi H. Ikuhara, Craig A.J. Fisher, Rong Huang, Akihide Kuwabara, Hiroki Moriwake, Keiichi Kohama, Yuichi Ikuhara

Journal of Materials Chemistry A   7 ( 15 )   8845 - 8854   2019

Prediction of dielectric constants using a combination of first principles calculations and machine learning

Yuji Umeda, Hiroyuki Hayashi, Hiroki Moriwake, Isao Tanaka

Japanese Journal of Applied Physics   58 ( SL )   2019

Materials informatics for dielectric materials Reviewed

Yuji Umeda, Hiroyuki Hayashi, Hiroki Moriwake, Isao Tanaka

Japanese Journal of Applied Physics   57 ( 11 )   2018.11

Preface Reviewed

Hiroki Moriwake, Takaaki Tsurumi

Ceramics International   44   S1 - S1   2018.11

Structural changes and their effect on Li-ion conductivity upon quenching of La<inf>(1-x)/3</inf>Li<inf>x</inf>NbO<inf>3</inf> solid electrolytes Reviewed

Xiaobing Hu, Craig A.J. Fisher, Shunsuke Kobayashi, Yumi H. Ikuhara, Yasuyuki Fujiwara, Keigo Hoshikawa, Hiroki Moriwake, Keiichi Kohama, Hideki Iba, Yuichi Ikuhara

Acta Materialia   156   379 - 388   2018.9

Polarization fluctuations in the perovskite-structured ferroelectric AgNb O3 Reviewed

Hiroki Moriwake, Ayako Konishi, Takafumi Ogawa, Craig A.J. Fisher, Akihide Kuwabara, Kazuki Shitara, Desheng Fu

Physical Review B   97 ( 22 )   2018.6

Raman scattering study of the ferroelectric phase transition in BaT i2 O5 Reviewed

Shinya Tsukada, Yasuhiro Fujii, Yasuhiro Yoneda, Hiroki Moriwake, Ayako Konishi, Yukikuni Akishige

Physical Review B   97 ( 2 )   2018.1

Density functional study of the phase stability and Raman spectra of Yb<inf>2</inf>O<inf>3</inf>, Yb<inf>2</inf>SiO<inf>5</inf> and Yb<inf>2</inf>Si<inf>2</inf>O<inf>7</inf> under pressure Reviewed International journal

Takafumi Ogawa, Noriko Otani, Taishi Yokoi, Craig A.J. Fisher, Akihide Kuwabara, Hiroki Moriwake, Masato Yoshiya, Satoshi Kitaoka, Masasuke Takata

Physical Chemistry Chemical Physics   20 ( 24 )   16518 - 16527   2018

Ferroelectricity in k-alumina-type multiferroic oxides

Itoh Mitsuru, Katayama Tsukasa, Yasui Shintaro, Kiguchi Takahisa, Shiraishi Takahisa, Akama Akihiro, Moriwake Hiroki, Konishi Ayako

Meeting Abstracts of the Physical Society of Japan   73 ( 1 )   2547 - 2547   2018

Atomic level changes during capacity fade in highly oriented thin films of cathode material LiCoPO4 Reviewed

Yumi H. Ikuhara, Xiang Gao, Craig A. J. Fisher, Akihide Kuwabara, Hiroki Moriwake, Keiichi Kohama, Hideki Iba, Yuichi Ikuhara

JOURNAL OF MATERIALS CHEMISTRY A   5 ( 19 )   9329 - 9338   2017.5

Atomic scale imaging of structural changes in solid electrolyte lanthanum lithium niobate upon annealing Reviewed

Xiaobing Hu, Craig A.J. Fisher, Shunsuke Kobayashi, Yumi H. Ikuhara, Yasuyuki Fujiwara, Keigo Hoshikawa, Hiroki Moriwake, Keiichi Kohama, Hideki Iba, Yuichi Ikuhara

Acta Materialia   127   211 - 219   2017.4

First-Principles Selection of Solute Elements for Er-Stabilized Bi<inf>2</inf>O<inf>3</inf> Oxide-Ion Conductor with Improved Long-Term Stability at Moderate Temperatures Reviewed

Kazuki Shitara, Takafumi Moriasa, Akifumi Sumitani, Atsuto Seko, Hiroyuki Hayashi, Yukinori Koyama, Rong Huang, Donglin Han, Hiroki Moriwake, Isao Tanaka

Chemistry of Materials   29 ( 8 )   3763 - 3768   2017.4

Improper Ferroelectricity in Stuffed Aluminate Sodalites for Pyroelectric Energy Harvesting Reviewed

Yusaku Maeda, Toru Wakamatsu, Ayako Konishi, Hiroki Moriwake, Chikako Moriyoshi, Yoshihiro Kuroiwa, Kenji Tanabe, Ichiro Terasaki, Hiroki Taniguchi

Physical Review Applied   7 ( 3 )   2017.3

Probing Oxygen Vacancies in BaTiO3 Powders and Single Crystals by Micro-Raman Scattering Reviewed

Hiroaki FUKUSHIMA, Hirotaka OKA, Hiroki MORIWAKE, Hiroshi UCHIDA, Hiroshi FUNAKUBO, Ken NISHIDA

Advanced Structured Materials   65   65 - 75   2017.3

Lattice dynamics and ferroelectric properties of the nitride perovskite LaWN3 Reviewed

Yue-Wen Fang, Craig A. J. Fisher, Akihide Kuwabara, Xin-Wei Shen, Takafumi Ogawa, Hiroki Moriwake, Rong Huang, Chun-Gang Duan

PHYSICAL REVIEW B   95 ( 1 )   2017.1

Atomic scale imaging of structural variations in La(1-x)/3LixNbO3 (0 &lt;= x &lt;= 0.13) solid electrolytes Reviewed

Xiaobing Hu, Shunsuke Kobayashi, Yumi H. Ikuhara, Craig A. J. Fisher, Yasuyuki Fujiwara, Keigo Hoshikawa, Hiroki Moriwake, Keiichi Kohama, Hideki Iba, Yuichi Ikuhara

ACTA MATERIALIA   123   167 - 176   2017.1

Why is sodium-intercalated graphite unstable? Reviewed

Hiroki Moriwake, Akihide Kuwabara, Craig A. J. Fisher, Yuichi Ikuhara

RSC ADVANCES   7 ( 58 )   36550 - 36554   2017

Effect of oxygen vacancy segregation in Au or Pt/oxide hetero-interfaces on electronic structures Reviewed

K. Shitara, A. Kuwabara, C. A. J. Fisher, T. Ogawa, T. Asano, Y. Kaneko, A. Omote, H. Moriwake

RSC ADVANCES   7 ( 57 )   36034 - 36037   2017

Ferroelectricity and structure of κ-alumina-type ferroelectric

Itoh Mitsuru, Hamasaki Yosuke, Katayama Tsukasa, Yasui Shintaro, Taniyama Tomoyasu, Moriwake Hiroki, Konishi Ayako, Kiguchi Takanori, Shiraishi Takahisa, Akama Akihiro

Meeting Abstracts of the Physical Society of Japan   72 ( 2 )   2321 - 2321   2017

Theoretical calculations of ferroelectric phase transition of thin film HfO₂

Moriwake Hiroki, Konishi Ayako, Togo Atsushi, Shimizu Takao, Funakubo Hiroshi

Meeting Abstracts of the Physical Society of Japan   72 ( 2 )   2282 - 2282   2017

ZnTaO2N: Stabilized High-Temperature LiNbO3-type Structure. Reviewed International journal

Yoshinori Kuno, Cédric Tassel, Koji Fujita, Dmitry Batuk, Artem M Abakumov, Kazuki Shitara, Akihide Kuwabara, Hiroki Moriwake, Daichi Watabe, Clemens Ritter, Craig M Brown, Takafumi Yamamoto, Fumitaka Takeiri, Ryu Abe, Yoji Kobayashi, Katsuhisa Tanaka, Hiroshi Kageyama

Journal of the American Chemical Society   138 ( 49 )   15950 - 15955   2016.12

Theoretical and experimental studies of formation and migration of oxygen vacancies in BaMxTi1-xO3(M = Zr, Ge) Reviewed

Yuji Umeda, Sanshiro Aman, Akihide Kuwabara, Hiroki Moriwake

JAPANESE JOURNAL OF APPLIED PHYSICS   55 ( 10 )   2016.10

Crystal and electronic structure changes during the charge-discharge process of Na4Co3(PO4)(2)P2O7 Reviewed

Hiroki Moriwake, Akihide Kuwabara, Craig Aj. Fisher, Masafumi Nose, Hideki Nakayama, Shinji Nakanishi, Hideki Iba, Yuichi Ikuhara

JOURNAL OF POWER SOURCES   326   220 - 225   2016.9

Mechanism of polarization switching in wurtzite-structured zinc oxide thin films Reviewed

Ayako Konishi, Takafumi Ogawa, Craig A. J. Fisher, Akihide Kuwabara, Takao Shimizu, Shintaro Yasui, Mitsuru Itoh, Hiroki Moriwake

APPLIED PHYSICS LETTERS   109 ( 10 )   150 - 153   2016.9

Isolated energy level in the band gap of Yb2Si2O7 identified by electron energy-loss spectroscopy Reviewed

Takafumi Ogawa, Shunsuke Kobayashi, Masashi Wada, Craig A. J. Fisher, Akihide Kuwabara, Takeharu Kato, Masato Yoshiya, Satoshi Kitaoka, Hiroki Moriwake

PHYSICAL REVIEW B   93 ( 20 )   2016.5

Electronic Structures of Ytterbium Silicates: First-Principles Calculations and Valence Electron Energy-Loss Spectroscopy Reviewed

Takafumi Ogawa, Shunsuke Kobayashi, Masashi Wada, Craig A. J. Fisher, Akihide Kuwabara, Hiroki Moriwake, Takeharu Kato, Msato Yoshiya, Satoshi KitaokaUchimoto Yoshiharu, Matsubara Eiichiro, Ogumi Zempachi

AMTC Letters   5   136 - 137   2016.5

Two competing soft modes and an unusual phase transition in the stuffed tridymite-type oxide BaAl2O4 Reviewed

Ishii, Y, Mori, S, Nakahira, Y, Moriyoshi, C, Park, J, Kim, B. G, Moriwake, H, Taniguchi, H, Kuroiwa, Y

PHYSICAL REVIEW B   93 ( 13 )   2016.4

Piezoelectric Anisotropy of KNbO3 by Molecular Dynamics Simulations Using a Shell Model Reviewed

Tamotsu Hashimoto, Hiroki Moriwake

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN   85 ( 3 )   2016.3

The electric field induced ferroelectric phase transition of AgNbO3 Reviewed

Hiroki Moriwake, Ayako Konishi, Takafumi Ogawa, Craig A. J. Fisher, Akihide Kuwabara, Desheng Fu

JOURNAL OF APPLIED PHYSICS   119 ( 6 )   2016.2

非ペロブスカイト型酸化物強誘電体開発

伊藤 満, 森分 博紀, 安井 伸太郎

セラミックス   51   661 - 665   2016

An alternative description of mass transfer through thick oxide films Reviewed

Takafumi Ogawa, Satoshi Kitaoka, Akihide Kuwabara, Craig A. J. Fisher, Hiroki Moriwake

SCRIPTA MATERIALIA   100   66 - 69   2015.4

Domain boundaries and their influence on Li migration in solid-state electrolyte (La,Li)TiO3 Reviewed

Hiroki Moriwake, Xiang Gao, Akihide Kuwabara, Craig A. J. Fisher, Teiichi Kimura, Yumi H. Ikuhara, Keiichi Kohama, Takeshi Tojigamori, Yuichi Ikuhara

JOURNAL OF POWER SOURCES   276   203 - 207   2015.2

Cation ordering in A-site-deficient Li-ion conducting perovskites La(1-x)/3LixNbO3 Reviewed

Xiang Gao, Craig A. J. Fisher, Yumi H. Ikuhara, Yasuyuki Fujiwara, Shunsuke Kobayashi, Hiroki Moriwake, Akihide Kuwabara, Keigo Hoshikawa, Keiichi Kohama, Hideki Iba, Yuichi Ikuhara

JOURNAL OF MATERIALS CHEMISTRY A   3 ( 7 )   3351 - 3359   2015

22aCH-10 Piezoelectric constants of KNbO_3 by molecular dynamics simulation using a shell model

Hashimoto T., Moriwake H.

Meeting Abstracts of the Physical Society of Japan   70 ( 1 )   2719 - 2719   2015

Structural Distortion and Compositional Gradients Adjacent to Epitaxial LiMn2O4 Thin Film Interfaces Reviewed

Xiang Gao, Yumi H. Ikuhara, Craig A. J. Fisher, Hiroki Moriwake, Akihide Kuwabara, Hideki Oki, Keiichi Kohama, Ryuji Yoshida, Rong Huang, Yuichi Ikuhara

ADVANCED MATERIALS INTERFACES   1 ( 8 )   2014.11

A Density Functional Study of Oxygen Adatoms on a Step-Doubled Platinum Surface Reviewed

Takafumi Ogawa, Akihide Kuwabara, Craig A. J. Fisher, Hiroki Moriwake

JOURNAL OF PHYSICAL CHEMISTRY C   118 ( 41 )   23675 - 23681   2014.10

Epitaxial Growth of LiMn2O4 Thin Films by Chemical Solution Deposition for Multilayer Lithium-Ion Batteries Reviewed

Yumi H. Ikuhara, Xiang Gao, Rong Huang, Craig A. J. Fisher, Akihide Kuwabara, Hiroki Moriwake, Keiichi Kohama

JOURNAL OF PHYSICAL CHEMISTRY C   118 ( 34 )   19540 - 19547   2014.8

Ferroelectricity in wurtzite structure simple chalcogenide Reviewed

Hiroki Moriwake, Ayako Konishi, Takafumi Ogawa, Koji Fujimura, Craig A. J. Fisher, Akihide Kuwabara, Takao Shimizu, Shintaro Yasui, Mitsuru Itoh

APPLIED PHYSICS LETTERS   104 ( 24 )   2014.6

Impact of local strain on Ti-L-2,L-3 electron energy-loss near-edge structures of BaTiO3: a first-principles multiplet study Reviewed International journal

Shirou Ootsuki, Hidekazu Ikeno, Yuji Umeda, Yu Yonezawa, Hiroki Moriwake, Akihide Kuwabara, Osamu Kido, Satoko Ueda, Isao Tanaka, Yoshinori Fujikawa, Teruyasu Mizoguchi

MICROSCOPY   63 ( 3 )   249 - 253   2014.6

Multi layer ceramic capacitors materials research using first-principles calculations Reviewed

Hiroki Moriwake

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   122 ( 1426 )   367 - 372   2014.6

Systematic calculations of On (n=1 to 6) polytypes of LiCoO2 Reviewed

Craig A. J. Fisher, Akihide Kuwabara, Hiroki Moriwake, Hideki Oki, Keiichi Kohama, Yuichi Ikuhara

PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS   8 ( 6 )   545 - 548   2014.6

A density functional study of vacancy formation in grain boundaries of undoped alpha-alumina Reviewed

Takafumi Ogawa, Akihide Kuwabara, Craig A. J. Fisher, Hiroki Moriwake, Katsuyuki Matsunaga, Kenji Tsuruta, Satoshi Kitaoka

ACTA MATERIALIA   69   365 - 371   2014.5

Photo-induced change of dielectric response in BaCoSiO4 stuffed tridymite Reviewed

Hiroki Taniguchi, Hiroki Moriwake, Akihide Kuwabara, Takuma Okamura, Takafumi Yamamoto, Ryuji Okazaki, Mitsuru Itoh, Ichiro Terasaki

JOURNAL OF APPLIED PHYSICS   115 ( 16 )   2014.4

An Improved Method for Quantitatively Predicting the Electrochemical Stabilities of Organic Liquid Electrolytes Using Ab Initio Calculations Reviewed

Hiroyuki Maeshima, Hiroki Moriwake, Akihide Kuwabara, Craig A. J. Fisher, Isao Tanaka

JOURNAL OF THE ELECTROCHEMICAL SOCIETY   161 ( 3 )   G7 - G14   2014

Domain boundary structures in lanthanum lithium titanates Reviewed

Xiang Gao, Craig A. J. Fisher, Teiichi Kimura, Yumi H. Ikuhara, Akihide Kuwabara, Hiroki Moriwake, Hideki Oki, Takeshi Tojigamori, Keiichi Kohama, Yuichi Ikuhara

JOURNAL OF MATERIALS CHEMISTRY A   2 ( 3 )   843 - 852   2014

First-Principles Study of Point Defect Formation in AgNbO3 Reviewed

Hiroki Moriwake, Craig A. J. Fisher, Akihide Kuwabara, Desheng Fu

JAPANESE JOURNAL OF APPLIED PHYSICS   52 ( 9 )   2013.9

Investigation of PbTiO3 thin films with reduced and re-oxidized treatment using Raman spectroscopy Reviewed

Ken Nishida, Minoru Osada, Hiroki Moriwake, Joe Sakai, Nobuaki Ito, Masamichi Nishide, Hirotaka Oka, Masashi Matsuoka, Rikyu Ikariyama, Hiroshi Funakubo, Takashi Katoda, Takashi Yamamoto

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   121 ( 1417 )   859 - 862   2013.9

Accelerated Materials Design of Lithium Superionic Conductors Based on First-Principles Calculations and Machine Learning Algorithms Reviewed

Koji Fujimura, Atsuto Seko, Yukinori Koyama, Akihide Kuwabara, Ippei Kishida, Kazuki Shitara, Craig A. J. Fisher, Hiroki Moriwake, Isao Tanaka

ADVANCED ENERGY MATERIALS   3 ( 8 )   980 - 985   2013.8

Oxygen vacancies in PbTiO3 thin films probed by resonant Raman spectroscopy Reviewed

Ken Nishida, Minoru Osada, Joe Sakai, Nobuaki Ito, Takashi Katoda, Rikyu Ikariyama, Hiroshi Funakubo, Hiroki Moriwake, Takashi Yamamoto

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   121 ( 1416 )   598 - 601   2013.8

Ferroelectricity Driven by Twisting of Silicate Tetrahedral Chains Reviewed International journal

Hiroki Taniguchi, Akihide Kuwabara, Jungeun Kim, Younghun Kim, Hiroki Moriwake, Sungwng Kim, Takuya Hoshiyama, Tsukasa Koyama, Shigeo Mori, Masaki Takata, Hideo Hosono, Yoshiyuki Inaguma, Mitsuru Itoh

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   52 ( 31 )   8088 - 8092   2013.7

Lithium Atom and A-Site Vacancy Distributions in Lanthanum Lithium Titanate Reviewed

Xiang Gao, Craig A. J. Fisher, Teiichi Kimura, Yumi H. Ikuhara, Hiroki Moriwake, Akihide Kuwabara, Hideki Oki, Takeshi Tojigamori, Rong Huang, Yuichi Ikuhara

CHEMISTRY OF MATERIALS   25 ( 9 )   1607 - 1614   2013.5

Adsorption and Diffusion of Oxygen Atoms on a Pt(211) Stepped Surface Reviewed

Takafumi Ogawa, Akihide Kuwabara, Craig A. J. Fisher, Hiroki Moriwake, Tomohiro Miwa

JOURNAL OF PHYSICAL CHEMISTRY C   117 ( 19 )   9772 - 9778   2013.5

First-principles calculations of lithium-ion migration at a coherent grain boundary in a cathode material, LiCoO(2). Reviewed International journal

Hiroki Moriwake, Akihide Kuwabara, Craig A J Fisher, Rong Huang, Taro Hitosugi, Yumi H Ikuhara, Hideki Oki, Yuichi Ikuhara

Advanced materials (Deerfield Beach, Fla.)   25 ( 4 )   618 - 22   2013.1

Impact of Lithium-Ion Ordering on Surface Electronic States of LixCoO2 Reviewed

Iwaya K, Ogawa T, Minato T, Miyoshi K, Takeuchi J, Kuwabara A, Moriwake H, Kim Y, Hitosugi T

Physical Review Letters   111 ( 12 )   2013

Antiphase inversion domains in lithium cobaltite thin films deposited on single-crystal sapphire substrates Reviewed

S. Zheng, C A. J. Fisher, A. Kumatani, S. Shiraki, T. Hitosugi, Y. H. Ikuhara, A. Kuwabara, H. Moriwake, H. Oki, Y. Ikuhara

Acta Materialia   61   7671 - 7678   2013

First-Principles Study on Relaxor-Type Ferroelectric Behavior without Chemical Inhomogeneity in BaTaO2N and SrTaO2N Reviewed

Yoyo Hinuma, Hiroki Moriwake, Ya-Ru Zhang, Teruki Motohash, Shinichi Kikkawa, Isao Tanaka

CHEMISTRY OF MATERIALS   24 ( 22 )   4343 - 4349   2012.11

A First-Principles Study of the Ferroelectric Phase of AgNbO3 Reviewed

Hiroki Moriwake, Craig A. J. Fisher, Akihide Kuwabara, Desheng Fu

JAPANESE JOURNAL OF APPLIED PHYSICS   51 ( 9 )   2012.9

Theoretical Analysis of Oxygen Vacancy Formation in Zr-Doped BaTiO3 Reviewed

Yuji Umeda, Kosuke Takano, Takashi Kojima, Akihide Kuwabara, Hiroki Moriwake

JAPANESE JOURNAL OF APPLIED PHYSICS   51 ( 9 )   2012.9

Ferroelectric Phase Transition and Material Property Studies Using State-of-the-Art First-Principles Calculations

MORIWAKE Hiroki

X-RAYS   54 ( 4 )   226 - 231   2012.8

A-site vacancies and atomic-scale domain boundary structures in polycrystalline solid-state electrolyte La0.34La0.51TiO3 Reviewed

GAO XIANG, IKUHARA YUMI H, KIMURA TEIICHI, MORIWAKE HIROKI, KUWABARA AKIHIDE, FISHER CRAIG A. J, OKI HIDEKI

AMTC Lett   3   36 - 37   2012.5

Phase transitions in LiCoO2 thin films prepared by pulsed laser deposition Reviewed

Rong Huang, Taro Hitosugi, Craig A. J. Fisher, Yumi H. Ikuhara, Hiroki Moriwake, Hideki Oki, Yuichi Ikuhara

MATERIALS CHEMISTRY AND PHYSICS   133 ( 2-3 )   1101 - 1107   2012.4

A High-Coincidence Twin Boundary in Lithium Battery Material LiCoO2 Reviewed

Craig A. J. Fisher, Rong Huang, Taro Hitosugi, Hiroki Moriwake, Akihide Kuwabara, Yumi H. Ikuhara, Hideki Oki, Yuichi Ikuhara

NANOSCIENCE AND NANOTECHNOLOGY LETTERS   4 ( 2 )   165 - 168   2012.2

Theoretical and experimental analysis for site preference of rare earth elements in BaTiO 3 Reviewed

Y. Umeda, K. Masuzawa, S. Ueda, S. Ootsuki, A. Kuwabara, H. Moriwake

Ceramics International   38 ( 1 )   S25 - S28   2012.1

Effect of Ca-Substitution on CdTiO3 Studied by Raman Scattering and First Principles Calculations Reviewed

Hiroki Taniguchi, Hwee Ping Soon, Hiroki Moriwake, Yue Jin Shan, Mitsuru Itoh

FERROELECTRICS   426   268 - 273   2012

The influence of charge ordering on the phase stability of spinel LiNi2O4 Reviewed

Akihide Kuwabara, Craig A. J. Fisher, Yumi H. Ikuhara, Hiroki Moriwake, Hideki Oki, Yuichi Ikuhara

RSC ADVANCES   2 ( 33 )   12940 - 12948   2012

Mechanism for suppression of ferroelectricity in Cd<inf>1-x</inf>Ca <inf>x</inf>TiO<inf>3</inf> Reviewed

Hiroki Taniguchi, Hwee Ping Soon, Takao Shimizu, Hiroki Moriwake, Yue Jin Shan, Mitsuru Itoh

Physical Review B - Condensed Matter and Materials Physics   84 ( 17 )   2011.11

Computer simulation of coherent BaZrO3/MgO interfaces Reviewed

Craig A. J. Fisher, Akihide Kuwabara, Hiroki Moriwake

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   119 ( 1395 )   861 - 866   2011.11

Mechanism for suppression of ferroelectricity in Cd1-xCaxTiO3 Reviewed

Hiroki Taniguchi, Hwee Ping Soon, Takao Shimizu, Hiroki Moriwake, Yue Jin Shan, Mitsuru Itoh

PHYSICAL REVIEW B   84 ( 17 )   2011.11

Anisotropic Permittivity of Tetragonal BaTiO3: A First-Principles Study Reviewed

Hiroki Moriwake, Craig A. J. Fisher, Akihide Kuwabara, Tamotsu Hashimoto

JAPANESE JOURNAL OF APPLIED PHYSICS   50 ( 9 )   2011.9

First-principles Calculations of the Phase Transition in CaTiO3 under Negative Static Pressure Reviewed

Hiroki Moriwake, Craig A. J. Fisher, Akihide Kuwabara, Tetsuya Tohei, Isao Tanaka

JOURNAL OF THE KOREAN PHYSICAL SOCIETY   59 ( 3 )   2497 - 2502   2011.9

First-principles calculations of lattice dynamics in CdTiO3 and CaTiO3: Phase stability and ferroelectricity Reviewed

Hiroki Moriwake, Akihide Kuwabara, Craig A. J. Fisher, Hiroki Taniguchi, Mitsuru Itoh, Isao Tanaka

PHYSICAL REVIEW B   84 ( 10 )   2011.9

First-principles calculations of lattice dynamics in CdTiO3 and CaTiO3: Phase stability and ferroelectricity Reviewed

Hiroki Moriwake, Akihide Kuwabara, Craig A. J. Fisher, Hiroki Taniguchi, Mitsuru Itoh, Isao Tanaka

PHYSICAL REVIEW B   84 ( 10 )   104114   2011.9

Oxygen-vacancy ordering at surfaces of lithium manganese(III,IV) oxide spinel nanoparticles. Reviewed International journal

Rong Huang, Yumi H Ikuhara, Teruyasu Mizoguchi, Scott D Findlay, Akihide Kuwabara, Craig A J Fisher, Hiroki Moriwake, Hideki Oki, Tsukasa Hirayama, Yuichi Ikuhara

Angewandte Chemie (International ed. in English)   50 ( 13 )   3053 - 7   2011.3

Real-time direct observation of Li in LiCoO2 cathode material Reviewed

Rong Huang, Taro Hitosugi, Scott D. Findlay, Craig A. J. Fisher, Yumi H. Ikuhara, Hiroki Moriwake, Hideki Oki, Yuichi Ikuhara

APPLIED PHYSICS LETTERS   98 ( 5 )   2011.1

Ab-initio multiplet calculation of oxygen vacancy effect on Ti-L <inf>2,3</inf> electron energy loss near edge structures of BaTiO <inf>3</inf> Reviewed

Ootsuki S, Ikeno H, Umeda Y, Moriwake H, Kuwabara A, Kido O, Ueda S, Tanaka I, Fujikawa Y, Mizoguchi T

Applied Physics Letters   99 ( 23 )   2011

Origin of giant tetragonal lattice strain in (1-x)BiFeO3-xPbTiO(3) System

Kazuaki Taji, Chikako Moriyoshi, Yoshihiro Kuroiwa, Hiroki Moriwake, Shuvrajvoti Bhattacharjee, Dhananjai Pandey

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES   67   C719 - C719   2011

Atomic Level Investigations of Lithium Ion Battery Cathode Materials Reviewed

Craig A. J. Fisher, M. Saiful Islam, Hiroki Moriwake

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN   79   2010.1

Quantitative Evaluation of Electrochemical Potential Windows of Electrolytes for Electric Double-Layer Capacitors Using Ab Initio Calculations Reviewed

Hiroyuki Maeshima, Hiroki Moriwake, Akihide Kuwabara, Craig A. J. Fisher

JOURNAL OF THE ELECTROCHEMICAL SOCIETY   157 ( 6 )   A696 - A701   2010

First-Principles Calculations of Electronic Structure and Solution Energies of Mn-Doped BaTiO3 Reviewed

Hiroki Moriwake, Craig A. J. Fisher, Akihide Kuwabara

JAPANESE JOURNAL OF APPLIED PHYSICS   49 ( 9 )   2010

First-Principles Calculations of Rare-Earth Dopants in BaTiO3 Reviewed

Hiroki Moriwake, Craig A. J. Fisher, Akihide Kuwabara

JAPANESE JOURNAL OF APPLIED PHYSICS   48 ( 9 )   2009.9

Magnetic Properties of Ni Alloys for Superconducting Wire Substrates: A First-Principles Study Reviewed

Hiroki Moriwake, Takeharu Kato, Akihide Kuwabara, Craig A. J. Fisher, Tsukasa Hirayama

JAPANESE JOURNAL OF APPLIED PHYSICS   48 ( 8 )   2009.8

Transmission electron microscopy and scanning transmission electron microscopy study on B-site cation ordered structures in a (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) single crystal Reviewed

Yukio Sato, Teruyasu Mizoguchi, Naoya Shibata, Hiroki Moriwake, Tsukasa Hirayama, Yuichi Ikuhara

APPLIED PHYSICS LETTERS   95 ( 2 )   2009.7

Lattice dynamics and thermal properties of SrHfO3 by first-principles calculations Reviewed

Hidenobu Murata, Tomoyuki Yamamoto, Hiroki Moriwake, Isao Tanaka

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS   246 ( 7 )   1628 - 1633   2009.7

Geometric ferroelectricity in rare-earth compounds RGaO3 and RInO3 Reviewed

Tetsuya Tohei, Hiroki Moriwake, Hidenobu Murata, Akihide Kuwabara, Ryo Hashimoto, Tomoyuki Yamamoto, Isao Tanaka

PHYSICAL REVIEW B   79 ( 14 )   2009.4

Isostructural phase transitions of tetragonal perovskite titanates under negative hydrostatic pressure Reviewed

Hiroki Moriwake, Yukinori Koyama, Katsuyuki Matsunaga, Tsukasa Hirayama, Isao Tanaka

JOURNAL OF PHYSICS-CONDENSED MATTER   20 ( 34 )   2008.8

First-principles calculation of solution energy of alkaline-earth metal elements to BaTiO3 Reviewed

Hiroki Moriwake, Tsukasa Hirayama, Yuichi Ikuhara, Isao Tanaka

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS   46 ( 10B )   7136 - 7140   2007.10

Theoretical and experimental consideration of valence band X-ray photoelectron spectroscopy spectra of Cr-deficient MgCr2-xO4 Reviewed

Hiroki Moriwake, Shinta Watanabe, Kazuyoshi Ogasawara

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS   46 ( 7A )   4175 - 4178   2007.7

Raman spectroscopic evaluation and microwave dielectric property of order/disorder and stoichiometric/non-stoichiometric Ba(Zn1/3Ta2/3)O-3 Reviewed

Eiichi Koga, Hiroki Moriwake, Ken-Ichi Kakimoto, Hitoshi Ohsato

FERROELECTRICS   356   438 - 444   2007

Order-disorder transition and its effect on microwave quality factor Q in Ba(Zn1/3Nb2/3)O-3 system Reviewed

E. Koga, Y. Yamagishi, H. Moriwake, K. Kakimoto, H. Ohsato

JOURNAL OF ELECTROCERAMICS   17 ( 2-4 )   375 - 379   2006.12

Synthesis of disordered Ba(Zn1/3Ta2/3)O-3 by spark plasma sintering and its microwave Q factor Reviewed

Eiichi Koga, Hiroki Moriwake, Ken-ichi Kakimoto, Hitoshi Ohsato

JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS   45 ( 9B )   7484 - 7488   2006.9

Large Q factor variation within dense, highly ordered Ba(Zn1/3Ta2/3)O-3 system Reviewed

E. Koga, Y. Yamagishi, H. Moriwake, K. Kakimoto, H. Ohsato

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY   26 ( 10-11 )   1961 - 1964   2006

Influence of Composition Deviation from Stoichiometric Ba (Zn_<1/3>Ta_<2/3>) O_3 on Superlattice Ordering and Microwave Quality Factor Q Reviewed

KOGA Eiichi, MORIWAKE Hiroki, KAKIMOTO Ken-ichi, OHSATO Hitoshi

Journal of the Ceramic Society of Japan   113 ( 1314 )   172 - 178   2005.2

Influence of composition deviation from stoichiometric Ba(Zn1/3Ta2/3)O-3 on superlattice ordering and microwave quality factor Q Reviewed

E Koga, H Moriwake, K Kakimoto, H Ohsato

JOURNAL OF THE CERAMIC SOCIETY OF JAPAN   113 ( 1314 )   172 - 178   2005.2

First-principles calculation of formation energy of neutral point defects in perovskite-type BaTiO3 Reviewed

Hiroki Moriwake

International Journal of Quantum Chemistry   99 ( 5 )   824 - 827   2004.9

High Temperature Thermistor Material Design of Spinel Type MgCr_2O_4 by First Principles Calculations and Experiments Reviewed

MORIWAKE Hiroki, TANAKA Isao, ADACHI Hirohiko

Journal of the Japan Society of Powder and Powder Metallurgy   51 ( 7 )   487 - 491   2004.7

Effects of Superlattice Ordering and Ceramic Microstructure on the Microwave Q Factor of Complex Perovskite-Type Oxide Ba(Zn_<1/3>Ta_<2/3>)O_3 Reviewed

KOGA Eiichi, MORIWAKE Hiroki

Journal of the Ceramic Society of Japan   111 ( 1298 )   767 - 775   2003.10

First principles calculations of the formation energy of Cr/Al vacancies in spinel-type MgCr2O4 and MgAl2O4 Reviewed

Moriwake H, Tanaka I, Oba F, Koyama Y, Adachi H

International Journal of Quantum Chemistry   91 ( 2 )   208 - 210   2003

Theoretical solution energy of alkaline earth ions in lanthanum chromites

H Moriwake, I Tanaka, K Tatsumi, Y Koyama, H Adachi, H Yakabe, I Yasuda

MATERIALS TRANSACTIONS   43 ( 7 )   1456 - 1459   2002.7

Formation energy of Cr/Al vacancies in spinel MgCr2O4 and MgAl2O4 by first-principles calculations Reviewed

Moriwake H, Tanaka I, Oba F, Koyama Y, Adachi H

Physical Review B   65 ( 15 )   2002

Formation energy of Cr/Al vacancies in spinel (formula presented) and (formula presented) by first-principles calculations Reviewed

Hiroki Moriwake, Isao Tanaka, Fumiyasu Oba, Yukinori Koyama, Hirohiko Adachi

Physical Review B - Condensed Matter and Materials Physics   65 ( 15 )   1 - 4   2002

Electronic structure and chemical bondings of MgCr2-xO4 Reviewed

Moriwake H, Tanaka I, Oba F, Adachi H

Japanese Journal of Applied Physics Part 1-Regular Papers Short Notes &amp; Review Papers   39 ( 2A )   513 - 516   2000

Particle-Size Dependence of Crystal Structure of BaTiO3 Powder.

Yamamoto Takashi, Niori Hirotake, Moriwake Hiroki

Japanese Journal of Applied Physics   39 ( 9 )   5683 - 5686   2000

Phonon informatics of searching for ferroelectric Perovskite Structure

横井里江, 設樂一希, 森分博紀, 森分博紀

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   37th   2024

Temperature dependence of crystal structure and dielectric properties of perovskite-type RbTaO₃

山本文子, 村瀬公俊, 山浦淳一, 杉山和正, 川又透, 浜崎容丞, 設楽一希, 横井里江, 森分博紀

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   37th   2024

Giant permittivity material exploration using soft-mode informatics

森分博紀, 森分博紀, 設樂一希, 横井里江, 田口綾子, 加藤丈晴, 仲山啓, 山本文子, 濱崎容丞, 江原祥隆, 伊藤満

日本セラミックス協会年会講演予稿集(Web)   2024   2024

ペロブスカイト構造酸化物のフォノンインフォマティクス

横井里江, 設樂一希, 森分博紀

JFCC研究成果集   2024   2024

強誘電性半導体LaWN₃の相安定性および電気的特性

FISHER Craig, 小川貴史, 森分博紀

JFCC研究成果集   2024   2024

ReO₃型酸フッ化物NbO₂Fの誘電特性発現機構

田口綾子, 森分博紀, 小寺正徳, 舟窪浩, 清水荘雄

JFCC研究成果集   2024   2024

First-principles calculations of Raman spectra of ferroelectric phase of SrTiO₃

森分博紀, 森分博紀, 設樂一希, 横井里江

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   37th   2024

Fundamental Properties of Perovskite-Structured Nitrides LnWN₃ (Ln = La, Pr, Nd, Sm, or Gd) from First-Principles Calculations

FISHER Craig A. J., 小川貴史, 森分博紀

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   37th   2024

Materials Exploration of Ferroelectricity by First-Principles Calculations

設樂一希, 横井里江, 森分博紀, 森分博紀

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   37th   2024

Control of Y-site occupancy in pyrochlore-type oxide Y₂Ti₂O₇

名田遥香, 横手俊哉, 吉野正人, 長崎正雅, 設楽一希, 森分博紀, 森分博紀, 山田智明, 山田智明

応用物理学会秋季学術講演会講演予稿集(CD-ROM)   85th   2024

Soft-mode informatics of Perovskite structured materials

森分博紀, 森分博紀, 設樂一希, 横井里江

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   36th   2023

酸フッ化物Pb₂OF₂におけるフッ化物イオン拡散機構

桑原彰秀, 田口綾子, 森分博紀, 稲熊宜之

JFCC研究成果集   2023   2023

Liイオン電池用酸化物固体電解質-正極膜の作製と構造解析

幾原裕美, 小林俊介, FISHER Craig, 桑原彰秀, 森分博紀, 幾原雄一, 幾原雄一

JFCC研究成果集   2023   2023

Post heat treatment of (Bi, K)TiO₃-based thin films prepared by hydrothermal method and their local structure

村下太一, 岡本一輝, 高橋雄真, 窪田るりか, 伊東良晴, 藤井康裕, 是枝聡肇, 清水荘雄, 小林俊介, 加藤丈晴, HUANG Hsin-Hui, 森分博紀, 幾原雄一, 幾原雄一, 舟窪浩

電子材料研究討論会プログラム講演予稿集(CD-ROM)   43rd   2023

Theoretical Analysis of Defect Formation and Dynamic Behavior in Battery Materials Using First-Principles Calculations

桑原彰秀, 小川貴史, FISHER C.A.J., 森分博紀

電子材料研究討論会プログラム講演予稿集(CD-ROM)   43rd   2023

Data driven ferroelectric materials study using first-principles calculations

森分博紀, 森分博紀

応用物理学会春季学術講演会講演予稿集(CD-ROM)   70th   2023

Materials Exploration of Ferroelectricity with Wurtzite Structure by First-Principles Calculations

設樂一希, 森分博紀, 田口綾子, 横井里江

日本セラミックス協会年会講演予稿集(Web)   2023   2023

JFCCにおける第一原理計算を基盤とするMIからMDXへの取り組み

森分博紀, 設樂一希, 横井里江, 加藤丈晴, 小林俊介, 仲山啓, 吉田竜視, 黄馨慧, 神谷利夫, 舟窪浩, 大場史康, 高橋亮, 大橋直樹, 清水荘雄, 山田智明, 吉野正人

JFCC研究成果集   2023   2023

Appearance of electronic conduction and its origin in H-doped ultra-wide bandgap oxide SrO thin film

吉川桜良, XINYI H., 片瀬貴義, 上田茂典, 小林俊介, 仲山啓, 加藤丈晴, 森分博紀, 神谷利夫

電子材料研究討論会プログラム講演予稿集(CD-ROM)   43rd   2023

First-principles study on ionic conduction mechanism in (Ba,Ca) F₂ solid solution

小川貴史, 佐藤和之, 森一広, 小林俊介, 森分博紀, 幾原雄一, 桑原彰秀

電池討論会PDF要旨集(CD-ROM)   64th   2023

First principles calculations on the mechanism of fluoride-ion diffusion in fluoride solid electrolytes

桑原彰秀, 小川貴史, FISHER Craig A. J., 森分博紀

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   36th   2023

Soft-mode informatics of perovskite structured ferroelectrics

森分博紀, 森分博紀, 設樂一希, 横井里江

日本物理学会講演概要集(CD-ROM)   78 ( 2 )   2023

Electronic structure of solid electrolytes Li_3xLa_2/3-xTiO₃ bulk single crystal studied by angle-resolved photoemission spectroscopy

小山正太郎, 高倉将一, 仲武昌史, 田中清尚, 藤原靖幸, 太子敏則, 森分博紀, 森分博紀, 入山恭寿, 伊藤孝寛, 伊藤孝寛

日本物理学会講演概要集(CD-ROM)   78 ( 2 )   2023

Theoretical Modeling of Cation Configurations and Li-Ion Diffusion in Solid Electrolyte LLTO

FISHER Craig A. J., 幾原裕美, 桑原彰秀, 森分博紀, 幾原雄一, 幾原雄一

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   36th   2023

First-principles calculations of Raman spectra of SrTi¹⁸O₃

横井里江, 森分博紀, 森分博紀, 設樂一希, 伊藤満, 武貞正樹

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   36th   2023

Synthesis of Ta⁵⁺ ion substituted ZrO₂ and its polarity

三村和仙, 設樂一希, 横井里江, 田口綾子, 森分博紀, 森分博紀, 稲熊宜之

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   36th   2023

First-principles calculations of fluorine-ion migration in graphite

森分博紀, FISHER Craig A.J., 小川貴史, 桑原彰秀, 幾原雄一, 幾原雄一, 丹羽栄貴, 濱口海征, 森大輔

電池討論会PDF要旨集(CD-ROM)   63rd   2022

First-principles calculations of defect formation behavior and fluoride ion conduction in Sr-doped CeF₃

桑原彰秀, 小川貴史, FISHER Craig A. J., 森分博紀, 幾原雄一, 幾原雄一

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   35th   2022

A computational search for wurtzite structured ferroelectrics with low coercive voltages

森分博紀, 横井里江, 田口綾子, 小川貴史, FISHER Craig A.J., 桑原彰秀, 佐藤幸生, 清水荘雄, 濱崎容丞, 高嶋浩, 伊藤満

日本物理学会講演概要集(CD-ROM)   77 ( 2 )   2022

Crystal Structure and Fluctuation of YbCuS₂

松本将弥, 兼島輝, 森吉千佳子, 大曲雄大, 山本理香子, 水谷宗一郎, 鬼丸孝博, 森分博紀

日本物理学会講演概要集(CD-ROM)   77 ( 2 )   2022

Important Descriptors for Analyzing Hydration Enthalpies in Perovskite-Type Oxides

田口綾子, 田口綾子, 小川貴史, FISHER Craig A.J., 森分博紀, 桑原彰秀

固体イオニクス討論会講演要旨集   48th   2022

Angle-resolved Photoemission Study of Bulk Single-Crystalline Lithium Solid Electrolytes Mother Compound La_1/3NbO₃

小山正太郎, 山本凌, 高倉将一, 仲武昌史, 田中清尚, 藤原靖幸, 森分博紀, 入山恭寿, 伊藤孝寛, 伊藤孝寛

日本物理学会講演概要集(CD-ROM)   77 ( 2 )   2022

Electronic structure of solid electrolytes Li_xLa_(1-x)/3NbO₃ bulk single crystal studied by angle-resolved photoemission spectroscopy

伊藤孝寛, 伊藤孝寛, 山本凌, 小山正太郎, 仲武昌史, 高倉将一, 出田真一郎, 田中清尚, 藤原靖幸, 森分博紀, 入山恭寿

応用物理学会秋季学術講演会講演予稿集(CD-ROM)   83rd   2022

Important Descriptors for Analyzing Hydration Enthalpies in Perovskite-Type Oxides

田口綾子, 田口綾子, 小川貴史, FISHER Craig A. J., 森分博紀, 桑原彰秀

日本セラミックス協会年会講演予稿集(Web)   2022   2022

The electronic ceramics materials study by collaboration between first-principles calculations and precise experiments

森分博紀

日本セラミックス協会年会講演予稿集(Web)   2022   2022

核磁気共鳴測定および第一原理計算によるY₂Ti₂O₇:Alの欠陥構造の決定

松本潮, 松本潮, 松本潮, 田中誠, 横井里江, 川島直樹, 瀧雅人, 村田秀信, 小川貴史, 森分博紀, 田中功, 田中功, 北岡諭

日本金属学会講演大会(Web)   170th   2022

Nano-Structural Changes during Electrochemical Cycling of Oriented LiMn₂O₄ Cathodic Thin Films

幾原裕美, GAO Xiang, FISHER Craig A. J., 桑原彰秀, 森分博紀, 川原一晃, 石川亮, 幾原雄一, 幾原雄一

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   35th   2022

Ferroelectric / dielectric materials design using soft-mode engineering

森分博紀, 設樂一希, 田口綾子, 田口綾子, 横井里江

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   35th   2022

中性子準弾性散乱と理論計算によるLiイオン伝導機構解析

森分博紀, 藤原靖幸, 松浦直人

JFCC研究成果集   2022   2022

固体電解質CeF₃におけるフッ化物イオン伝導の第一原理計算

桑原彰秀, 小川貴史, FISHER Craig, 森分博紀

JFCC研究成果集   2022   2022

リチウムイオン電池用正極膜内部の充放電による構造変化

幾原裕美, 高翔, 高翔, FISHER Craig, 桑原彰秀, 森分博紀, 川原一晃, 石川亮, 幾原雄一, 幾原雄一

JFCC研究成果集   2022   2022

Raman spectroscopy of ferroelectric HfO₂-based films

高橋雄真, 白石貴久, 小寺正徳, 志村礼司郎, 三村和仙, 森分博紀, 田口綾子, 舟窪浩

応用物理学会秋季学術講演会講演予稿集(CD-ROM)   82nd   2021

First-principles calculations on the mechanism of fluoride ion conduction in CeF₃ solid electrolyte

桑原彰秀, 小川貴史, FISHER Craig A. J., 森分博紀, 幾原雄一, 幾原雄一

電池討論会PDF要旨集(CD-ROM)   62nd   2021

Theoretical study on low temperature phase of NaNbO₃ using first-principles base comprehensive soft-mode analysis

森分博紀, 横井里江

日本セラミックス協会年会講演予稿集(Web)   2021   2021

Ferroelectric/dielectric materials study using first-principles calculations

森分博紀

日本セラミックス協会秋季シンポジウム講演予稿集(Web)   34th   2021

Bulk Single Crystal Growth and Characterization Experiments of Solid Electrolyte Materials

藤原靖幸, 松浦直人, 森分博紀, 太子敏則

セラミックス   56 ( 9 )   2021

Oxide ion diffusion pathways in weberite-type and pyrochlore Yb₂Ti₂O₇ using first-principles molecular dynamics simulations

松本潮, 松本潮, 小川貴史, 森分博紀, 北岡諭, 田中功

日本セラミックス協会年会講演予稿集(Web)   2021   2021

Novel Ferroelectric Materials Study Using Comprehensive Soft-mode Analysis

森分博紀

村田学術振興財団年報   ( 35 )   2021

Angle-resolved Photoemission Study of Solid Electrolytes Li_xLa_(1-x)/3NbO₃ Bulk Single Crystal

山本凌, 仲武昌史, 高倉将一, 出田真一郎, 田中清尚, 藤原靖幸, 森分博紀, 入山恭寿, 伊藤孝寛

日本物理学会講演概要集(CD-ROM)   76 ( 2 )   2021

ウルツ鉱型強誘電体のマテリアルズインフォマティクス

森分博紀, 横井里江, 田口綾子, 小川貴文, FISHER Craig, 桑原彰秀, 佐藤幸生, 清水荘雄, 浜嵜容丞, 高島浩, 伊藤満

JFCC研究成果集   2021   2021

ペロブスカイト型LaLuO₃系機能性材料の理論計算

FISHER Craig, 田口綾子, 小川貴史, 桑原彰秀, 森分博紀

JFCC研究成果集   2021   2021

First-Principles Calculations of Defect Formation Behavior in Inorganic Crystalline Materials.

桑原彰秀, 小川貴史, FISHER Craig A. J., 森分博紀, 森分博紀

触媒   62 ( 1 )   2020

結晶粒界構造に基づく熱伝導度の直接予測

藤井進, FISHER Craig, 森分博紀, 横井達矢, 吉矢真人

JFCC研究成果集   2020   2020

次世代蓄電池固体電解質LaF₃のイオン伝導第一原理計算

桑原彰秀, FISHER Craig, 森分博紀

JFCC研究成果集   2020   2020

Structure of Liquid BaTiO₃ by First-principles Molecular Dynamics Simulation

橋本保, 森分博紀, 森分博紀

日本物理学会講演概要集(CD-ROM)   75 ( 1 )   2020

Materialsinformatics for dielectric material

森分博紀, 森分博紀

日本物理学会講演概要集(CD-ROM)   75 ( 1 )   2020

Functional materials design using materials informatics and soft-mode engineering

森分博紀, 森分博紀, 田口綾子, 田口綾子, 田口綾子

日本セラミックス協会年会講演予稿集(CD-ROM)   2020   2020

Dielectric properties of ReO₃-type oxyfluoride thin films

小寺正徳, 舟窪浩, 清水荘雄, 田口綾子, 森分博紀

日本セラミックス協会年会講演予稿集(CD-ROM)   2020   2020

JFCCにおけるマテリアルズインフォマティクス研究

森分博紀, 桑原彰秀, 藤井進, 設樂一希, 田口綾子, 田中功, 東後篤, 世古敦人, 林博之

JFCC研究成果集   2020   2020

Ferroelectric Materials Study Using First-principles Calculations

森分博紀, 田口綾子, 田口綾子

まてりあ   59 ( 2 )   2020

First-principles calculations of fluoride ion conductive solid electrolyte Ba-doped LaF3

桑原彰秀, FISHER Craig A. J., 森分博紀, 幾原雄一, 幾原雄一

電池討論会PDF要旨集(CD-ROM)   61st   2020

Structure of Liquid BaTiO₃ by First-principles Molecular Dynamics Simulation: II

橋本保, 森分博紀

日本物理学会講演概要集(CD-ROM)   75 ( 2 )   2020

Depth-sectioning atomic-resolution STEM observation of a barium titanate nanoparticle

青木舞, 青木舞, 佐藤幸生, 寺西亮, 金子賢治, 武貞正樹, 森分博紀, 高島浩, 伯田幸也

日本セラミックス協会年会講演予稿集(CD-ROM)   2020   2020

低熱伝導性をもたらす粒界局所構造の解明:系統的計算と機械学習

藤井進, 藤井進, 藤井進, 横井達矢, 横井達矢, フィッシャー クレイグ, 森分博紀, 森分博紀, 吉矢真人, 吉矢真人

日本金属学会講演大会(Web)   167th   2020

第一原理計算を用いたYb₂Ti₂O₇の構造探索

松本潮, 松本潮, 小川貴史, 森分博紀, 北岡諭, 田中功, 田中功

日本金属学会講演大会(Web)   167th   2020

First-principles calculations of fluoride ion conductive solid electrolyte Ba-doped LaF₃

桑原彰秀, FISHER Craig A. J., 森分博紀, 幾原雄一, 幾原雄一

日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   33rd   2020

ReO₃-type oxyfluoride thin films aiming for dielectric materials

小寺正徳, 舟窪浩, 清水荘雄, 田口綾子, 森分博紀

日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   33rd   2020

Searching for New Dielectric Materials by Combination of First Principles Calculations and Machine Learning

54 ( 7 )   499 - 503   2019.7

Liイオン電池用正極膜の充放電による表面構造変化

幾原裕美, 高翔, FISHER Craig, 桑原彰秀, 森分博紀, 幾原雄一

JFCC研究成果集   2019   2019

第一原理計算によるセラミックス機能性材料研究

森分博紀, 森分博紀

粉体粉末冶金協会講演大会(Web)   2019   2019

Ruddlesden-Popper型酸化物Li₂SrNb₂O₇における誘電物性

永井隆之, 中埜彰俊, 森分博紀, 澤博, 寺崎一郎, 谷口博基

日本物理学会講演概要集(CD-ROM)   74 ( 1 )   2019

シェル・モデルを用いた分子動力学計算による非晶質チタン酸バリウムの構造と誘電率 II

橋本保, 森分博紀

日本物理学会講演概要集(CD-ROM)   74 ( 2 )   2019

Nanostructural changes in lithium-ion battery cathodic films during electrochemical cycling

幾原裕美, GAO Xiang, FISHER Craig A. J., 桑原彰秀, 森分博紀, 幾原雄一

電池討論会PDF要旨集(CD-ROM)   60th   2019

First-principles calculations of point defect structures in fluoride ion conductor LaF₃

桑原彰秀, FISHER Craig. A. J., 森分博紀, 森分博紀, 右京良雄, 幾原雄一, 幾原雄一

電池討論会PDF要旨集(CD-ROM)   60th   2019

First-principles calculations of changes in dissolution structures of octahedral Pt catalyst particles used in PEFC cathodes

木村将之, 小川貴史, FISHER Craig A. J., 森分博紀

電池討論会PDF要旨集(CD-ROM)   60th   2019

Sr₃Sn₂O₇:Sm³⁺の構造制御と発光特性

石米祐至, 石米祐至, TU Dong, WANG Ruiping, 藤尾侑輝, 森分博紀, XU Chao-Nan, XU Chao-Nan

日本セラミックス協会年会講演予稿集(CD-ROM)   2019   2019

ソフトモード制御による高誘電率材料設計-高誘電率材料マテリアルズインフォマティクス-

森分博紀, 森分博紀, 田口綾子, 田口綾子, 田口綾子

日本セラミックス協会年会講演予稿集(CD-ROM)   2019   2019

網羅的ソフトモード探索による岩塩型結晶構造酸化物の強誘電性

森分博紀, 森分博紀, 田口綾子, 田口綾子, 田口綾子, 東後篤史

日本物理学会講演概要集(CD-ROM)   74 ( 1 )   2019

理論計算によるLLNbO固体電解質の構造・特性へ与える急冷処理の影響

FISHER C. A. J., HU X., 幾原裕美, 森分博紀, 小浜恵一, 幾原雄一, 幾原雄一

日本セラミックス協会年会講演予稿集(CD-ROM)   2019   2019

リチウム二次電池用正極膜の充放電に伴う表面構造変化

幾原裕美, GAO Xiang, FISHER Craig A. J., 桑原彰秀, 森分博紀, 小浜恵一, 幾原雄一

日本セラミックス協会年会講演予稿集(CD-ROM)   2019   2019

第一原理計算とANN原子ポテンシャルを用いたR-Ti-O酸化物の構造探索

松本潮, 小川貴史, FISHER Craig A. J., 北岡諭, 淺井健太, 森分博紀, 森分博紀

日本セラミックス協会年会講演予稿集(CD-ROM)   2019   2019

グラファイト中フッ素イオンの伝導挙動の第一原理計算

森分博紀, FISHER Craig, 幾原裕美, 小林俊介, 桑原彰秀, 吉田要, 西藤哲史, 右京良雄, 幾原雄一

JFCC研究成果集   2019   2019

全固体電池とその課題:高イオン伝導固体電解質の開発~固固界面の制御と解析 透過型電子顕微鏡法と第一原理計算の連携による固体電解質および電極活物質における固固界面の原子構造とLiイオンの移動機構の解析

桑原彰秀, 森分博紀, 森分博紀, FISHER Craig A. J.

セラミックス   54 ( 4 )   2019

第一原理計算によるバリウムチタン酸窒化物中の複合欠陥と分極反転機構の解析

設楽一希, 設楽一希, 設楽一希, 小川貴史, 桑原彰秀, 桑原彰秀, 竹入史隆, 陰山洋, 森分博紀, 森分博紀

日本金属学会講演概要(CD-ROM)   163rd   ROMBUNNO.S3.32   2018.9

網羅的ソフトモードフォノン探索によるHfO₂薄膜の強誘電性の理論計算

森分博紀, 森分博紀, 小西綾子, 小西綾子, 東後篤史, 清水荘雄, 舟窪浩

日本セラミックス協会年会講演予稿集(CD-ROM)   2018   2018

Ferroelectric Materials with Simple Chemical Composition

安井伸太郎, 伊藤満, 森分博紀

村田学術振興財団年報   ( 32 )   2018

κ-Al₂O₃型構造GaFeO₃薄膜の強誘電性とフェリ磁性

安井伸太郎, 越阪部拓也, 伊藤満, 片山司, 片山司, 浜嵜容丞, 田口綾子, 森分博紀, 白石貴久, 赤間章裕, 木口賢紀

日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   31st   2018

NaI-LiBH₄固溶体における点欠陥形成とイオン伝導の第一原理計算

桑原彰秀, 桑原彰秀, 田口綾子, 田口綾子, 宮崎怜雄奈, 森分博紀, 森分博紀, 野田泰斗

日本金属学会講演概要(CD-ROM)   163rd   2018

κ-Al₂O₃型構造材料におけるユニークな強誘電特性

安井伸太郎, 片山司, 浜嵜容丞, 田口綾子, 森分博紀, 白石貴久, 赤間章裕, 木口賢紀, 伊藤満

エレクトロセラミックス研究討論会講演予稿集   38th   2018

第一原理計算を用いたイオン伝導体における熱平衡欠陥濃度の定量評価

桑原彰秀, 桑原彰秀, 小川貴史, 小西綾子, 小西綾子, 設樂一希, クレイグ フィッシャー, 森分博紀, 森分博紀

日本金属学会講演概要(CD-ROM)   162nd   2018

第一原理計算から理解する強誘電体の構造

森分博紀, 森分博紀, 小西綾子, 小西綾子, 小川貴史, FISHER Craig A. J., 桑原彰秀, 桑原彰秀

日本物理学会講演概要集(CD-ROM)   73 ( 2 )   2018

LiMn₂O₄中の粒界構造と電池特性-原子分解能構造解析と理論計算-

森分博紀, FISHER Craig, 幾原裕美, 小林俊介, 桑原彰秀, HU Xiaobing, 右京良雄, 幾原雄一

JFCC研究成果集   2018   2018

シェル・モデルを用いた分子動力学計算による非晶質チタン酸バリウムの構造と誘電率

橋本保, 森分博紀

日本物理学会講演概要集(CD-ROM)   73 ( 1 )   2018

マテリアルズ・インフォマティクスの未来展望 第一原理計算と高精度実験の連携による二次電池材料研究

森分博紀, 森分博紀

化学工業   69 ( 1 )   2018

第一原理計算によるバリウムチタン酸窒化物中の複合欠陥と分極反転機構の解析

設楽一希, 設楽一希, 設楽一希, 小川貴史, 桑原彰秀, 桑原彰秀, 竹入史隆, 陰山洋, 森分博紀, 森分博紀

日本金属学会講演概要(CD-ROM)   163rd   2018

Redox reactions and electronic structure changes in olivine-type cathodes

桑原彰秀, FISHER Craig. A. J., 森分博紀, 森分博紀, 右京良雄, 幾原雄一, 幾原雄一

電池討論会講演要旨集   59th   2018

La_(1-x)/3Li_xNbO₃固体電解質の熱処理によるナノ構造変化

幾原裕美, HU Xiaobing, 小林俊介, FISHER Craig A. J., 森分博紀, 幾原雄一, 藤原靖幸, 干川圭吾, 小浜恵一, 射場英紀

日本セラミックス協会年会講演予稿集(CD-ROM)   2018   2018

六方晶系BaVO_3-xH_xにおける水酸化物イオンのサイト選択性に関する第一原理計算

設樂一希, 山本隆文, 陰山洋, 森分博紀, 桑原彰秀

日本セラミックス協会年会講演予稿集(CD-ROM)   2018   2018

グラファイト中フッ素イオンの伝導挙動の第一原理計算

森分博紀, 森分博紀, FISHER Craig A. J., 桑原彰秀, 吉田要, 西藤哲史, 右京良雄, 幾原雄一, 幾原雄一

日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   31st   2018

第一原理計算と高精度実験の連携によるセラミックス電子材料研究

森分博紀, 森分博紀

セラミックス基礎科学討論会講演要旨集   56th   2018

First-principles calculations of fluorine-ion migration in graphite

森分博紀, 森分博紀, FISHER Craig A. J., 桑原彰秀, 吉田要, 西藤哲史, 右京良雄, 幾原雄一, 幾原雄一

電池討論会講演要旨集   59th   2018

Relationship between nanostructure and Li ionic conductivity of solid electrolyte La_(1-X)/3Li_XNbO₃

幾原裕美, 小林俊介, HU Xiaobing, FISHER Craig A. J., 森分博紀, 幾原雄一, 藤原靖幸, 干川圭吾, 小浜恵一, 射場英紀

電池討論会講演要旨集   59th   2018

ファイン・ナノセラミックス最前線 ファインセラミック分野における第一原理計算を応用した材料研究

森分博紀, 森分博紀

機能材料   38 ( 7 )   2018

Ybシリケートのラマンスペクトル応力依存性の第一原理計算

小川貴史, 大谷紀子, 横井太史, FISHER Craig A. J., 桑原彰秀, 森分博紀, 北岡諭

日本セラミックス協会年会講演予稿集(CD-ROM)   2017   2017

網羅的Bond Valence Sum分布計算による高イオン伝導体探索

設樂一希, 設樂一希, FISHER Craig A. J., 桑原彰秀, 桑原彰秀, 金森研太, 烏山昌幸, 烏山昌幸, 烏山昌幸, 竹内一郎, 竹内一郎, 竹内一郎, 森分博紀, 森分博紀

日本セラミックス協会年会講演予稿集(CD-ROM)   2017   2017

La_(1-x)/3Li_xNbO₃固体電解質のLi濃度と微細構造との相関

幾原裕美, HU X., 小林俊介, FISHER Craig A. J., 森分博紀, 藤原靖幸, 干川圭吾, 小浜恵一, 射場英紀, 幾原雄一, 幾原雄一

日本セラミックス協会年会講演予稿集(CD-ROM)   2017   2017

網羅的ソフトモードフォノン探索によるHfO₂薄膜の強誘電性の理論計算

森分博紀, 東後篤史, 舟窪浩, 清水荘雄

JFCC研究成果集   2017   2017

Grain boundary structure in LiMn₂O₄ thin film and its influence on battery properties

森分博紀, 森分博紀, FISHER Graig A. J., 幾原裕美, 小林俊介, 桑原彰秀, HU Xiaobing, 右京良雄, 幾原雄一, 幾原雄一

電池討論会講演要旨集   58th   2017

Atomic level microstructural changes of the thin film cathode for lithium ion batteries by electrochemical cycling

幾原裕美, GAO Xiang, 菅原義弘, FISHER Craig A. J., 桑原彰秀, 森分博紀, 小浜恵一, 射場英紀, 幾原雄一

電池討論会講演要旨集   58th   2017

第一原理計算による高安定性イオン伝導体の材料設計

設楽一希, 森分博紀, 森朝崇文, 炭谷晃史, 世古敦人, 林博之, HAN Donglin, 田中功, 小山幸典, HUANG Rong

JFCC研究成果集   2017   2017

LiCoPO₄正極膜の充放電によるナノ構造変化

幾原裕美, 高翔, 菅原義之, FISHER Craig, 桑原彰秀, 森分博紀, 小浜恵一, 射場英紀, 幾原雄一

JFCC研究成果集   2017   2017

分子性強誘電体TCAAの相転移挙動の理論計算

小西綾子, 森分博紀, 森吉千佳子, 黒岩芳弘

JFCC研究成果集   2017   2017

第一原理計算による酸化亜鉛の強誘電性解析-非鉛強誘電体材料の開発への新たな設計指針-

小西綾子, 森分博紀, 森分博紀

Fine Ceramics Report   35 ( 2 )   2017

Bond Valence Sumを活用したイオン伝導体の高速スクリーニング

設楽一希, 設楽一希, クレイグ フィッシャー, 桑原彰秀, 桑原彰秀, 森分博紀, 森分博紀, 金森研太, 烏山昌幸, 烏山昌幸, 烏山昌幸, 竹内一郎, 竹内一郎, 竹内一郎

日本金属学会講演概要(CD-ROM)   160th   2017

アクセプター添加BaZrO₃におけるドーパントおよび酸素欠損の固溶状態に関する第一原理計算

桑原彰秀, 桑原彰秀, 志賀元紀, 志賀元紀, クレイグ フィッシャー, 森分博紀, 森分博紀

日本金属学会講演概要(CD-ROM)   161st   2017

GaFeO₃型マルチフェロイック材料のドメイン構造

片山司, 安井伸太郎, 浜嵜容丞, 森分博紀, 小西綾子, 木口賢紀, 白石貴久, 赤間章裕, 伊藤満

応用物理学会秋季学術講演会講演予稿集(CD-ROM)   78th   2017

ferroelectricity in wurtzite-structured ZnO thin films

Moriwake Hiroki, Konishi Ayako, Ogawa Takafumi, Fisher Craig, Kuwabara Akihide, Shimizu Takao, Yasui Shintaro, Itoh Mitsuru

Meeting Abstracts of the Physical Society of Japan   72 ( 0 )   2668 - 2668   2017

LiBH₄添加NaIにおける欠陥形成挙動の第一原理計算

桑原彰秀, 桑原彰秀, 小西綾子, 小西綾子, 宮崎怜雄奈, 森分博紀, 森分博紀, 野田泰斗

固体イオニクス討論会講演要旨集   43rd   2017

Y添加BaZrO₃における電気伝導キャリアの熱平衡濃度の第一原理計算

桑原彰秀, 桑原彰秀, 小川貴史, 小西綾子, 小西綾子, 設樂一希, 設樂一希, FISHER Craig A. J., 森分博紀, 森分博紀

固体イオニクス討論会講演要旨集   43rd   2017

First-principles studies on atomic structures and ORR activities of Pt octahedral clusters for a cathode catalyst of PEFC

木村将之, 高橋伸彬, 小川貴史, 小西綾子, FISHER Craig, 設楽一希, 桑原彰秀, 森分博紀

電池討論会講演要旨集   58th   2017

網羅的ソフトモードフォノン探索によるHfO₂薄膜の強誘電性の理論計算

森分博紀, 森分博紀, 小西綾子, 小西綾子, 東後篤史, 清水荘雄, 舟窪浩

日本物理学会講演概要集(CD-ROM)   72 ( 2 )   2017

Research Trends and Future Perspective for Electroceramics

51 ( 12 )   830 - 835   2016.12

第一原理計算によるAgNbO₃の強誘電性に関する研究 (特集 GRENE振動発電用鉛フリー圧電体開発の概要)

森分 博紀, 小西 綾子

日本電子材料技術協会会報   47   34 - 37   2016.11

Electronic Ceramics Research Combining Atomic Level Structure Analysis and Theoretical Calculations

MORIWAKE Hiroki, KUWABARA Akihide, FISHER Craig A. J, OGAWA Takafumi, KONISHI Ayako, OHTANI Noriko, SHITARA Kazuki, IKUHARA Yumi H, IKUHARA Yuichi, IKUHARA Yuichi

AMTC Letters   5   72‐73   2016.5

第一原理計算と原子レベル構造解析を連携させたマテリアルズ・デザイン : 全固体Liイオン電池用固体電解質材料(La,Li)TiO₃中のLi伝導支配要因の探索 (特集 『ビッグデータ解析』『計算科学』による新材料の開発)

森分 博紀

Material stage   16 ( 1 )   28 - 32   2016.4

BaTiO_3-xN_2x/3中の欠陥構造と強誘電特性の第一原理計算

設樂一希, 小川貴史, 桑原彰秀, 森分博紀, 竹入史隆, 陰山洋

日本セラミックス協会年会講演予稿集(CD-ROM)   2016   ROMBUNNO.2J05   2016.3

第一原理計算によるκ‐Al₂O₃型強誘電体の分極反転経路解析

小西綾子, 森分博紀, 濱嵜容丞, 安井伸太郎, 伊藤満

JFCC研究成果集   2016   11   2016

四面体型強誘電体薄膜の作製と分極反転の可能性

安井伸太郎, 高橋竜太, LIPPMAA Mikk, 小西綾子, 森分博紀, 伊藤満

日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   29th   2016

AgNbO₃の電場誘起強誘電相転移に関する第一原理計算

森分博紀, 小西綾子, 小川貴史, FISHER Craig A.J., 桑原彰秀, FU Desheng

日本物理学会講演概要集(CD-ROM)   71 ( 2 )   2016

強誘電体・誘電体材料研究最前線2016 第一原理計算と高精度実験との連携による強誘電体研究

森分博紀, 小西綾子

セラミックス   51 ( 10 )   2016

κ-Al₂O₃型酸化物薄膜の分極反転と強誘電性(I)

浜嵜容丞, 安井伸太郎, 谷山智康, 伊藤満, 清水荘雄, 小西綾子, 森分博紀, 白石貴久, 赤間章裕, 木口賢紀

日本セラミックス協会年会講演予稿集(CD-ROM)   2016   2016

マテリアルズ・インフォマティクスに基づいた材料および機能探索

田中 功, 世古 敦人, 森分 博紀

Fine ceramics report   34 ( 1 )   8 - 13   2016

第一原理計算による強誘電性k-Al₂O₃型結晶構造の分極反転経路解析

小西綾子, 小川貴史, FISHER Craig, 桑原彰秀, 森分博紀, 濱嵜容丞, 安井伸太郎, 伊藤満

日本金属学会講演概要(CD-ROM)   159th   2016

κ-Al₂O₃型酸化物薄膜の分極反転と強誘電性(II)

浜嵜容丞, 安井伸太郎, 谷山智康, 伊藤満, 清水荘雄, 小西綾子, 森分博紀, 白石貴久, 赤間章裕, 木口賢紀

日本セラミックス協会年会講演予稿集(CD-ROM)   2016   2016

第一原理計算によるGaFeO₃型強誘電体の分極反転経路解析

小西綾子, 小川貴史, FISHER Craig A. J., 桑原彰秀, 森分博紀, 濱嵜容丞, 安井伸太郎, 伊藤満

日本セラミックス協会年会講演予稿集(CD-ROM)   2016   2016

HfO₂薄膜における強誘電相転移に関する第一原理計算

森分博紀, 小西綾子, 桑原彰秀, 東後篤史, 清水荘雄, 舟窪浩

日本セラミックス協会年会講演予稿集(CD-ROM)   2016   2016

κ-Al₂O₃型Me_xFe_2-xO₃エピタキシャル薄膜の構造と強誘電性(I)

浜嵜容丞, 安井伸太郎, 谷山智康, 清水荘雄, 小西綾子, 森分博紀, 白石貴久, 赤間章裕, 木口賢紀, 伊藤満

応用物理学会春季学術講演会講演予稿集(CD-ROM)   63rd   2016

化学溶液法によるLiCoPO₄正極膜の作製と微細構造解析

幾原裕美, 高翔, 菅原義之, フィッシャー クレイグ, 桑原彰秀, 森分博紀, 小浜恵一, 幾原雄一

JFCC研究成果集   2016   2016

Naイオン電池正極材料NaMO₂におけるポリタイプの第一原理計算

FISHER Craig A.J., 小川貴史, 桑原彰秀, 森分博紀

固体イオニクス討論会講演要旨集   42nd   2016

グラファイト負極へのNa挿入挙動の第一原理計算

森分博紀, 桑原彰秀, FISHER Craig, 幾原雄一

電池討論会講演要旨集   57th   2016

第一原理計算によるYbシリケートのラマンスペクトルの検討

小川貴史, 大谷紀子, 横井太史, FISHER Craig A. J., 桑原彰秀, 森分博紀, 北岡諭

日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   29th   2016

化学溶液法によるLiイオン電池用正極膜の合成と構造解析

幾原裕美, GAO X., 菅原義之, FISHER C. A. J., 桑原彰秀, 森分博紀, 幾原雄一, 幾原雄一, 小浜恵一

日本セラミックス協会年会講演予稿集(CD-ROM)   2016   2016

κ-Al₂O₃型Me_xFe_2-xO₃エピタィシャル薄膜の構造と強誘電性(II)

浜嵜容丞, 安井伸太郎, 谷山智康, 清水荘雄, 小西綾子, 森分博紀, 白石貴久, 赤間章裕, 木口賢紀, 伊藤満

応用物理学会春季学術講演会講演予稿集(CD-ROM)   63rd   2016

ラマン分光法を用いたBaTiO₃の酸素欠陥の評価

福島浩晃, 岡廣隆, 神津知己, 舟窪浩, 内田寛, 森分博紀, 島宏美, 西田謙

応用物理学会春季学術講演会講演予稿集(CD-ROM)   63rd   2016

第一原理計算と高精度実験の連携による強誘電体材料研究

森分博紀, 森分博紀

日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   29th   2016

アルミネートゼオライト強誘電体の相転移機構解析

森分博紀, 谷口博基, 前田悠作, 森吉千佳子

JFCC研究成果集   2016   2016

第一原理計算による層状LiMO₂(M=Cr,Fe,Co,Ni)ポリタイプの安定性と電池特性

FISHER C. A. J., 小川貴史, 桑原彰秀, 森分博紀

日本セラミックス協会年会講演予稿集(CD-ROM)   2016   2016

プロトン伝導性BaZrO₃におけるアクセプターによるプロトントラップ効果の第一原理計算

桑原彰秀, FISHER Craig A. J., 森分博紀

日本セラミックス協会年会講演予稿集(CD-ROM)   2015   2015

ウルツァイト型結晶構造酸化物の強誘電性一定電束密度下の第一原理計算

小西綾子, 小川貴史, 大谷紀子, FISHER Craig A. J., 桑原彰秀, 森分博紀

日本セラミックス協会年会講演予稿集(CD-ROM)   2015   2015

アルミナ層粒界を介した物質移動機構の原子論的解析

小川貴史, 北岡諭, 桑原彰秀, FISHER Craig, 森分博紀

日本金属学会講演概要(CD-ROM)   156th   2015

Y₂Ti₂O₇パイロクロア結晶中の点欠陥生成に関する第一原理計算

小川貴史, 桑原彰秀, クレイグ フィッシャー, 森分博紀, 北岡諭

日本金属学会講演概要(CD-ROM)   157th   2015

第一原理計算によるYbシリケートの結合と電子状態の解析

小川貴史, 桑原彰秀, FISHER C.A.J., 森分博紀, 北岡諭, 吉矢真人

日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   28th   2015

強誘電体における構造相転移の第一原理計算

桑原彰秀, 森分博紀, 谷口博基, 伊藤満

JFCC研究成果集   2015   2015

第一原理計算によるLiCoO₂多形体の構造と特性

フィッシャー クレイグ, 桑原彰秀, 森分博紀, 幾原雄一

JFCC研究成果集   2015   2015

第一原理計算と原子分解能構造解析の連携による電子材料セラミックスの研究

森分博紀

エレクトロセラミックス研究討論会講演予稿集   35th   2015

NiMnスピネル系正極材料における固溶状態と電極特性に関する第一原理計算

桑原彰秀, FISHER Carig A. J., 森分博紀, 小浜恵一, 幾原雄一, 幾原雄一

固体イオニクス討論会講演要旨集   41st   2015

Liイオン電池用固体電解質LLNbOの微細構造解析

幾原裕美, 高翔, フィッシヤー クレイグ, 小林俊介, 森分博紀, 桑原彰秀, 幾原雄一, 藤原靖幸, 干川圭吾, 小浜恵一, 射場英紀

JFCC研究成果集   2015   2015

スピネル系正極活物質における固溶状態と電極反応機構の解析

桑原彰秀, フィッシャー クレイグ, 森分博紀, 小浜恵一, 幾原雄一

JFCC研究成果集   2015   2015

第一原理計算によるAgNbO₃の電界誘起強誘電相転移と有限温度における挙動

小西綾子, 小川貴史, FISHER Craig A.J., 桑原彰秀, 森分博紀, FU Desheng

日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   28th   2015

分子性強誘電体トリクロロアセトアミドの相転移挙動の第一原理計算

森分博紀, 小西綾子, 小川貴史, FISHER Craig A. J., 桑原彰秀, 大谷紀子, 森吉千佳子, 黒岩芳弘

日本物理学会講演概要集(CD-ROM)   70 ( 1 )   2015

AgNbO₃の電場誘起強誘電相転移に関する第一原理計算

森分博紀, 小西綾子, 小川貴史, FISHER Craig A. J., 桑原彰秀, FU Desheng

日本セラミックス協会年会講演予稿集(CD-ROM)   2015   2015

Influence of Domain Structure in (La,Li)TiO₃ on the Li ion Conduction by Atomic Scale Structure Analysis and First-principles Calculations

Hiroki Moriwake, Xiang Gao, Akihide Kuwabara, Craig A. J. Fisher, Teiichi Kimura, Yumi H. Ikuhara, Keiichi Kohama, Takeshi Tojigamori, Yuichi Ikuhara

Ceramics Japan   50 ( 4 )   338 - 340   2015

AgNbO₃の電場誘起強誘電相転移に関する第一原理計算

森分博紀, 小西綾子, 小川貴史, 桑原彰秀, FISHER C. A. J, 符徳勝

JFCC研究成果集   2015   8   2015

一定電束密度下の第一原理計算によるZnOの強誘電性解析

小西綾子, 小川貴史, 森分博紀

JFCC研究成果集   2015   2015

固体電解質Li_xLa_(1-x)/3NbO₃中のリチウムイオン伝導度へ及ぼす変調構造の影響

FISHER Craig A. J., 桑原彰秀, 幾原裕美, 森分博紀, 藤原靖幸, 干川圭吾, 小浜恵一, 幾原雄一, 幾原雄一

電池討論会講演要旨集   56th   2015

Na二次電池正極材料Na₄Co₃(PO₄)₂P₂O₇の電池特性の第一原理計算

森分博紀, 桑原彰秀, FISHER Craig, 野瀬雅文, 中山英樹, 中西真二, 射場英紀, 幾原雄一

電池討論会講演要旨集   56th   2015

Naイオン電池正極活物質(Na₄Co₃(PO₄)₂P₂O₇)の反応メカニズム解明

櫻林靖哲, 中山英樹, 錦織英孝, 野瀬雅文, 森分博紀

電池討論会講演要旨集   56th   2015

Na二次電池正極材料Na₄Co₃(PO₄)₂P₂O₇の電池特性の第一原理計算

森分博紀, 桑原彰秀, FISHER Craig A.J., 野瀬雅文, 中山英樹, 中西真二, 射場英紀, 幾原雄一, 幾原雄一, 幾原雄一

日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   28th   2015

化学溶液法によるLiイオン電池用正極膜の合成と微細構造解析

幾原裕美, GAO X., 菅原義之, FISHER C. A. J., 桑原彰秀, 森分博紀, 幾原雄一, 小浜恵一

電池討論会講演要旨集   56th   2015

LLNbO系固体電解質における変調構造のLiイオン伝導性への影響

FISHER C.A.J., GAO X., 桑原彰秀, 幾原裕美, 森分博紀, 藤原靖幸, 干川圭吾, 小浜敬一, 幾原雄一, 幾原雄一

日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   28th   2015

Zr置換したBaTiO₃中の酸素欠陥拡散に関する理論的研究

梅田裕二, 桑原彰秀, 森分博紀

日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   28th   2015

NiMn系スピネル正極活物質における電子構造と電極反応に関する第一原理計算

桑原彰秀, FISHER Craig A.J., 森分博紀, 小浜恵一, 幾原雄一, 幾原雄一

電気化学会大会講演要旨集(CD-ROM)   82nd   2015

原子分解能電子顕微鏡と第一原理計算の連携によるLiCoO₂粒界のLiイオン二次電池特性への影響 (特集 二次電池研究開発の新潮流)

森分 博紀

Ceramics Japan = セラミックス : bulletin of the Ceramic Society of Japan   49 ( 11 )   948 - 954   2014.11

8pAF-7 Permittivity of KNbO_3 by molecular dynamics simulations using a shell model

Hashimoto Tamotsu, Moriwake Hiroki

Meeting abstracts of the Physical Society of Japan   69 ( 2 )   698 - 698   2014.8

Ferroelectric Material Research Using First-principles Calculations - Ferroelectricity in AgNbO₃ -

森分博紀

粉体および粉末冶金   61 ( 8 )   387 - 391   2014.8

27pPSA-8 Permittivity of BaTiO_3 by molecular dynamics simulation using a shell model II

Hashimoto Tamotsu, Moriwake Hiroki

Meeting abstracts of the Physical Society of Japan   69 ( 1 )   916 - 916   2014.3

第一原理計算によるLiCoO₂ポリタイプの構造と特性

フィッシャー クレイグ, 桑原明秀, 森分博紀, 幾原雄一, 幾原雄一

JFCC研究成果集   2014   2014

Ferroelectric material research using first-principles calculations-Ferroelectricity in AgNbO3

Hiroki Moriwake

Funtai Oyobi Fummatsu Yakin/Journal of the Japan Society of Powder and Powder Metallurgy   61 ( 8 )   387 - 391   2014

分子性強誘電体トリクロロアセトアミドの相転移挙動の第一原理計算

小西綾子, 森分博紀, 小川貴史, FISHER Craig A.J., 桑原彰秀, 大谷紀子, 森吉千佳子, 黒岩芳弘

日本セラミックス協会秋季シンポジウム講演予稿集(CD-ROM)   27th   2014

ウルツァイト型結晶構造単純カルコゲナイドの強誘電性

小西綾子, 森分博紀, 小川貴史, 藤村幸司, FISHER Craig A.J., 桑原彰秀, 清水荘雄, 安井伸太郎, 伊藤満

日本セラミックス協会年会講演予稿集(CD-ROM)   2014   2014

第一原理計算によるウルツァイト型結晶構造の強誘電性解析

森分博紀, 小西綾子, 清水荘雄, 安井伸太郎, 伊藤満

JFCC研究成果集   2014   11   2014

A Theoretical Study of Temperature Dependence of Vacancy Formation at Grain Boundaries in Non-doped α-Alumina Reviewed

T. Ogawa, A. Kuwabara, C. A. J. Fisher, H. Moriwake, T. Matsudaira, K. Matsunaga, S. Kitaoka

AMTC Letters   4   106 - 107   2014

リチウムイオン二次電池用正極膜のナノ構造解析

高翔, 幾原裕美, 吉田竜視, フィッシャー クレイグ, 桑原彰秀, 森分博紀, 幾原雄一, 小浜恵一

JFCC研究成果集   2014   2014

固体電解質LLTO中90°ドメインのLi伝導への影響

森分博紀, 高翔, 桑原彰秀, 幾原裕美, 木村禎一, FISHER C A J, 幾原雄一, 小浜恵一, 當寺ケ盛健志

JFCC研究成果集   2014   2014

4配位型酸化物新規強誘電体の設計指針

伊藤満, 谷口博基, 森分博紀

日本化学会講演予稿集   94th ( 2 )   2014

第一原理計算によるCu系酸化物のゼーベック係数評価

森匡見, 桑原彰秀, 森分博紀

日本セラミックス協会年会講演予稿集(CD-ROM)   2014   2014