TU München / Uni Ulm (Germany)   Postdoc

2004.4 - 2007.10

The University of Tokyo   Department of Materials Engineering   PD of JSPS

2003.4 - 2004.3

Efficient first-principles approach to Gibbs free energy with thermal expansion

Yoshihiro Gohda

ArXiv   2024

Nonperturbative calculation of exchange coupling parameters

Yoshihiro Gohda

ArXiv   2024

Magnetic-anisotropy modulation in multiferroic heterostructures by ferroelectric domains from first principles

Yoshihiro Gohda

Science and Technology of Advanced Materials   2024

Metastable Co3Mn/Fe/Pb(Mg1/3Nb2/3)O3–PbTiO3 multiferroic heterostructures

Y. Murakami, T. Usami, R. Watarai, Y. Shiratsuchi, T. Kanashima, R. Nakatani, Y. Gohda, K. Hamaya

Journal of Applied Physics   134 ( 22 )   2023.12

Unveiling the origin of the large coercivity in (Nd, Dy)-Fe-B sintered magnets

Xin Tang, Jiangnan Li, Hossein Sepehri-Amin, Anton Bolyachkin, Andres Martin-Cid, Shintaro Kobayashi, Yoshinori Kotani, Motohiro Suzuki, Asako Terasawa, Yoshihiro Gohda, Tadakatsu Ohkubo, Tetsuya Nakamura, Kazuhiro Hono

NPG Asia Materials   15 ( 1 )   2023.9

Strain-induced magnetic anisotropy in Heusler alloys studied from first principles Reviewed

Amran Mahfudh Yatmeidhy, Yoshihiro Gohda

Applied Physics Express   16 ( 5 )   2023.5

Subphase exploration for SmFe<inf>12</inf>-based permanent magnets by Gibbs energies obtained with first-principles cluster-expansion method Reviewed

Satoru Enomoto, Sonju Kou, Taichi Abe, Yoshihiro Gohda

Journal of Alloys and Compounds   950   2023.4

First-principles phonon calculations of neodymium-magnet compounds Reviewed

Shunsuke Tsuna, Yoshihiro Gohda

JOURNAL OF APPLIED PHYSICS   133 ( 11 )   2023.3

Structures of Sm-Cu intermetallics with Fe as subphase candidates in SmFe12-based permanent magnets studied by first-principles thermodynamics Reviewed

Soma Nishino, Yoshihiro Gohda

JAPANESE JOURNAL OF APPLIED PHYSICS   62 ( 3 )   2023.3

Unidirectional Nano-modulated Binding and Electron Scattering in Epitaxial Borophene

Yoshihiro Gohda

ACS Applied Materials & Interfaces   2023

Origin of anisotropic magnetoresistance tunable with electric field in Co2FeSi/ BaTiO3 multiferroic interfaces Reviewed

Shunsuke Tsuna, Rafael Costa-Amaral, Yoshihiro Gohda

JOURNAL OF APPLIED PHYSICS   132 ( 23 )   2022.12

Giant converse magnetoelectric effect in a multiferroic heterostructure with polycrystalline Co2FeSi Reviewed

Shumpei Fujii, Takamasa Usami, Yu Shiratsuchi, Adam M. Kerrigan, Amran Mahfudh Yatmeidhy, Shinya Yamada, Takeshi Kanashima, Ryoichi Nakatani, Vlado K. Lazarov, Tamio Oguchi, Yoshihiro Gohda, Kohei Hamaya

NPG Asia Materials   14 ( 1 )   2022.12

Superconductivity in a two monolayer thick indium film on Si(111)root 3 x root 3-B Reviewed

Takahiro Ogino, Insung Seo, Hiroo Tajiri, Masashi Nakatake, Sho-Ichi Takakura, Yudai Sato, Yukio Hasegawa, Yoshihiro Gohda, Kan Nakatsuji, Hiroyuki Hirayama

PHYSICAL REVIEW B   106 ( 4 )   2022.7

First-Principles Determination of Intergranular Atomic Arrangements and Magnetic Properties in Rare-Earth Permanent Magnets Reviewed

Yoshihiro Gohda

Funtai Oyobi Fummatsu Yakin/Journal of the Japan Society of Powder and Powder Metallurgy   69   S109 - S117   2022

Role of Ferroelectricity, Delocalization, and Occupancy of d States in the Electrical Control of Interface-Induced Magnetization Reviewed

Rafael Costa-Amaral, Yoshihiro Gohda

Physical Review Applied   15 ( 6 )   2021.6

First-principles study on substitution effects in Nd2(Fe, X)14B (vol 4, pg 388, 2018)

Yoshihiro Gohda

Materialia   2021

Effective quantum-well width of confined electrons in ultrathin Ag(111) films on Si(111)7 ×  7 substrates Reviewed

Sugawara, K., Seo, I., Yamazaki, S., Nakatsuji, K., Gohda, Y., Hirayama, H.

Surface Science   704   2021

Prediction of the Curie temperature considering the dependence of the phonon free energy on magnetic states Reviewed

Tomonori Tanaka, Yoshihiro Gohda

npj Computational Materials   6 ( 1 )   2020.12

First-principles study of crystalline Nd-Fe alloys Reviewed

Ainai, Y., Tatetsu, Y., Terasawa, A., Gohda, Y.

Applied Physics Express   13 ( 1 )   2020

First-principles study on surface stability and interface magnetic properties of SmFe<inf>12</inf> Reviewed

Ainai, Y., Shiozawa, T., Tatetsu, Y., Gohda, Y.

Applied Physics Express   13 ( 4 )   2020

First-principles study on magnetism of a crystalline grain-boundary phase in Nd-Fe-B permanent magnets Reviewed

Ainai, Y., Kou, S., Tatetsu, Y., Gohda, Y.

Japanese Journal of Applied Physics   59 ( 6 )   2020

First-Principles Study of Magnetism-Dependent Phonons Governed by Exchange Ligand Field Reviewed

Tanaka, T., Gohda, Y.

Journal of the Physical Society of Japan   89 ( 9 )   2020

First-principles study of the adsorption of 3d transition metals on BaO- and TiO<inf>2</inf>-terminated cubic-phase BaTiO<inf>3</inf>(001) surfaces Reviewed

Costa-Amaral, R., Gohda, Y.

The Journal of chemical physics   152 ( 20 )   204701 - 204701   2020

First-principles calculations on high-temperature desorption loss from iridium Reviewed

Seo, I., Yokota, S., Imai, Y., Gohda, Y.

Computational Materials Science   184   2020

First-principles study of exchange coupling constants in Nd$_x$Fe$_{1-x}$ amorphous alloy

Yoshihiro Gohda

ArXiv   2020

Single-site orthogonalization for first-principles computations of exchange coupling constants

Yoshihiro Gohda

ArXiv   2020

Great Differences between Low-Temperature Grown Co2FeSi and Co2MnSi Films on Single-Crystalline Oxides

Yoshihiro Gohda

ACS Applied Electronic Materials   2019

Great Differences between Low-Temperature Grown Co₂FeSi and Co₂MnSi Films on Single-Crystalline Oxides

Kudo, K., Hamazaki, Y., Yamada, S., Abo, S., Gohda, Y., Hamaya, K.

ACS Applied Electronic Materials   1 ( 11 )   2019

Efficient algorithm based on Liechtenstein method for computing exchange coupling constants using localized basis set Reviewed

Terasawa, A., Matsumoto, M., Ozaki, T., Gohda, Y.

Journal of the Physical Society of Japan   88 ( 11 )   2019

First-Principles Study of Magnetoelectric Coupling at Fe/BiFeO3 (001) Interfaces Reviewed

Fujita, K., Gohda, Y.

Physical Review Applied   11 ( 2 )   2019

Dynamic Interface Formation in Magnetic Thin Film Heterostructures Reviewed

Nakashima, S., Miyamachi, T., Tatetsu, Y., Takahashi, Y., Takagi, Y., Gohda, Y., Yokoyama, T., Komori, F.

Advanced Functional Materials   29 ( 3 )   1804594   2019

Enhancement of magnetoelectric coupling by insertion of Co atomic layer into Fe<inf>3</inf>Si/BaTiO<inf>3</inf>(001) interfaces identified by first-principles calculations Reviewed

Hamazaki, Y., Gohda, Y.

Journal of Applied Physics   126 ( 23 )   2019

Hidden order in amorphous structures: Extraction of nearest neighbor networks of amorphous Nd-Fe alloys with Gabriel graph analyses Reviewed

Terasawa, A., Gohda, Y.

Journal of Chemical Physics   149 ( 15 )   2018

First-principles study on substitution effects in Nd<inf>2</inf>(Fe, X)<inf>14</inf>B Reviewed

Tatetsu, Y., Tsuneyuki, S., Gohda, Y.

Materialia   4   388 - 394   2018

Role of typical elements in Nd2Fe14X (X= B, C, N, O, F) Reviewed

Tatetsu, Y., Harashima, Y., Miyake, T., Gohda, Y.

Physical Review Materials   2 ( 7 )   2018

First-principles prediction of one-dimensional giant Rashba splittings in Bi-adsorbed in atomic chains Reviewed

Tanaka, T., Gohda, Y.

Physical Review B   98 ( 24 )   2018

Temperature dependence of the crystal structures and phase fractions of secondary phases in a Nd-Fe-B sintered magnet Reviewed

Tsuji, N., Okazaki, H., Ueno, W., Kotani, Y., Billington, D., Yasui, A., Kawaguchi, S., Sugimoto, K., Toyoki, K., Fukagawa, T., Nishiuchi, T., Gohda, Y., Hirosawa, S., Hono, K., Nakamura, T.

Acta Materialia   154   25 - 32   2018

Electron theory on grain-boundary structures and local magnetic properties of neodymium magnets Reviewed

Gohda, Y., Tatetsu, Y., Tsuneyuki, S.

Materials Transactions   59 ( 3 )   332 - 337   2018

First-principles study of novel 1D Rashba effect in Bi-adsorbed In atomic chains

Tanaka Tomonori, Gohda Yoshihiro

Meeting Abstracts of the Physical Society of Japan   73.2   2047 - 2047   2018

Role of typical elements in Nd$_{2}$Fe$_{14}$$X$ ($X$ = B, C, N, O, F)

Yoshihiro Gohda

ArXiv   2018

Electron theory on grain-boundary structures and local magnetic properties of neodymium magnets Reviewed

Gohda, Y., Tatetsu, Y., Tsuneyuki, S.

Nippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals   81 ( 1 )   26 - 31   2017

Prediction of ferromagnetism in MnB and MnC on nonmagnetic transition-metal surfaces studied by first-principles calculations Reviewed

Nakamura, S., Gohda, Y.

Physical Review B   96 ( 24 )   2017

Epitaxially stabilized iron thin films via effective strain relief from steps Reviewed

Miyamachi, T., Nakashima, S., Kim, S., Kawamura, N., Tatetsu, Y., Gohda, Y., Tsuneyuki, S., Komori, F.

Physical Review B   94 ( 4 )   2016

First-Principles Study of the Role of Cu in Improving the Coercivity of Nd-Fe-B Permanent Magnets Reviewed

Tatetsu, Y., Tsuneyuki, S., Gohda, Y.

Physical Review Applied   6 ( 6 )   2016

Impact of rattlers on thermal conductivity of a thermoelectric clathrate: A first-principles study Reviewed

Tadano, T., Gohda, Y., Tsuneyuki, S.

Physical Review Letters   114 ( 9 )   2015

Electronic structure analysis for Fe/Cu thin films by first-principle calculations

Tatetsu Yasutomi, Tsuneyuki Shinji, Gohda Yoshihiro

JSAP Annual Meetings Extended Abstracts   2014.2   1851 - 1851   2014.9

Strain effects on the magnetic anisotropy of Y2Fe14B examined by first-principles calculations Reviewed

Torbatian, Z., Ozaki, T., Tsuneyuki, S., Gohda, Y.

Applied Physics Letters   104 ( 24 )   2014

Direct observation of ferromagnetism in grain boundary phase of Nd-Fe-B sintered magnet using soft x-ray magnetic circular dichroism Reviewed

Nakamura, T., Yasui, A., Kotani, Y., Fukagawa, T., Nishiuchi, T., Iwai, H., Akiya, T., Ohkubo, T., Gohda, Y., Hono, K., Hirosawa, S.

Applied Physics Letters   105 ( 20 )   2014

Anharmonic force constants extracted from first-principles molecular dynamics: Applications to heat transfer simulations Reviewed

Tadano, T., Gohda, Y., Tsuneyuki, S.

Journal of Physics Condensed Matter   26 ( 22 )   2014

Improved tetrahedron method for the Brillouin-zone integration applicable to response functions Reviewed

Kawamura, M., Gohda, Y., Tsuneyuki, S.

Physical Review B - Condensed Matter and Materials Physics   89 ( 9 )   2014

Diversity of hydrogen configuration and its roles in SrTiO <inf>3-δ</inf> Reviewed

Iwazaki, Y., Gohda, Y., Tsuneyuki, S.

APL Materials   2 ( 1 )   2014

Optical conductivity of highly mismatched GaP alloys Reviewed

Gohda, Y., Tsuneyuki, S.

Applied Physics Letters   102 ( 2 )   2013

Ab initio molecular dynamics study of the Helmholtz layer formed on solid-liquid interfaces and its capacitance Reviewed

Ando, Y., Gohda, Y., Tsuneyuki, S.

Chemical Physics Letters   556   9 - 12   2013

Structural phase transition of graphene caused by GaN epitaxy Reviewed

Gohda, Y., Tsuneyuki, S.

Applied Physics Letters   100 ( 5 )   2012

Dependence of the Schottky barrier on the work function at metal/SiON/SiC(0001) interfaces identified by first-principles calculations Reviewed

Ando, Y., Gohda, Y., Tsuneyuki, S.

Surface Science   606 ( 19-20 )   1501 - 1506   2012

Two-dimensional intrinsic ferromagnetism at nitride-boride interfaces Reviewed

Gohda, Y., Tsuneyuki, S.

Physical Review Letters   106 ( 4 )   2011

First-principles calculations on spin polarization of vacancies in nitride semiconductors Reviewed

Yoshihiro Gohda, Atsushi Oshiyama

PHYSICS OF SEMICONDUCTORS: 30TH INTERNATIONAL CONFERENCE ON THE PHYSICS OF SEMICONDUCTORS   1399   83 - 84   2011

Stabilization mechanism of vacancies in group-III nitrides: Exchange splitting and electron transfer Reviewed

Gohda, Y., Oshiyama, A.

Journal of the Physical Society of Japan   79 ( 8 )   2010

Intrinsic ferromagnetism due to cation vacancies in Gd-doped GaN: First-principles calculations Reviewed

Gohda, Y., Oshiyama, A.

Physical Review B - Condensed Matter and Materials Physics   78 ( 16 )   2008

Influence of water on elementary reaction steps in electrocatalysis Reviewed

Gohda, Y., Schnur, S., Groß, A.

Faraday Discussions   140   233 - 244   2008

Quantum electron transport through ultrathin Si films: Effects of interface passivation on fermi-level pinning Reviewed

Gohda, Y., Watanabe, S., Groß, A.

Physical Review Letters   101 ( 16 )   2008

Local reactivity of ultrathin platinum overlayers and surface alloys on a gold surface Reviewed

Gohda, Y., Groß, A.

Surface Science   601 ( 18 )   3702 - 3706   2007

Structure-reactivity relationship for bimetallic electrodes: Pt overlayers and PtAu surface alloys on Au(1 1 1) Reviewed

Gohda, Y., Groß, A.

Journal of Electroanalytical Chemistry   607 ( 1-2 )   47 - 53   2007

Ab initio study of Al atomic chains with Na impurity atom Reviewed

Furuya, S., Gohda, Y., Watanabe, S.

e-Journal of Surface Science and Nanotechnology   4   570 - 573   2006

Bistability in a H-terminated Si(1 0 0)2 × 1 surface obtained by ab initio transport calculations Reviewed

Gohda, Y., Watanabe, S.

Surface Science   600 ( 5 )   L62 - L65   2006

Dependence of electric properties of Al atomic chains on structure of chain-electrode junction Reviewed

Furuya, S., Gohda, Y., Watanabe, S.

Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers   45 ( 11 )   8991 - 8993   2006

Charging of molecules during transport Reviewed

Gohda, Y., Pantelides, S.T.

Nano Letters   5 ( 7 )   1217 - 1220   2005

Theoretical analysis of the bias-voltage dependence of the apparent barrier height Reviewed

H Totsuka, Y Gohda, S Furuya, S Watanabe

PHYSICAL REVIEW B   70 ( 15 )   2004.10

Theoretical analysis of the bias-voltage dependence of the apparent barrier height Reviewed

Totsuka, H., Gohda, Y., Furuya, S., Watanabe, S.

Physical Review B - Condensed Matter and Materials Physics   70 ( 15 )   1 - 155405   2004

Theoretical analysis of field emission from metallic nanostructures on Si(100) surfaces Reviewed

Gohda, Y., Watanabe, S.

Journal of Physics Condensed Matter   16 ( 26 )   4685 - 4696   2004

Ab initio calculation of stable structures of a Na atomic chain under bias voltages Reviewed

Hu, C., Gohda, Y., Furuya, S., Watanabe, S.

Science and Technology of Advanced Materials   4 ( 6 )   585 - 591   2003

First-principles calculation of vibrational properties of a nanostructure in electric fields Reviewed

Hu, C., Gohda, Y., Furuya, S., Watanabe, S.

Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers   42 ( 7 B )   4639 - 4641   2003

Ab initio study of field emission from atomic-scale surfaces Reviewed

K Watanabe, S Watanabe, M Araidai, Y Gohda

TECHNICAL DIGEST OF THE 16TH INTERNATIONAL VACUUM MICROELECTRONICS CONFERENCE   2003-January   1 - 2   2003

Theoretical analysis of electron standing waves and electric field intensity in the vacuum gap of scanning tunneling microscopy Reviewed

Ando, K., Bray-Ali, N., Gohda, Y., Watanabe, S.

Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers   42 ( 7 B )   4642 - 4645   2003

Ab initio calculations of field emission from ultrathin Si(100) films Reviewed

Gohda, Y., Watanabe, S.

Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures   21 ( 6 )   2461 - 2465   2003

Ab initio calculation of capacitance of semi-infinite jellium electrodes with a nanoscale gap Reviewed

Tanaka, M., Gohda, Y., Furuya, S., Watanabe, S.

Japanese Journal of Applied Physics, Part 2: Letters   42 ( 7 A )   L766 - L768   2003

First-principles study of apparent barrier height Reviewed

Totsuka, H., Gohda, Y., Furuya, S., Watanabe, S.

Japanese Journal of Applied Physics, Part 2: Letters   41 ( 10 B )   L1172 - L1174   2002

Density functional analysis of field emission from metals Reviewed

Gohda, Y., Nakamura, Y., Watanabe, K., Watanabe, S.

Materials Science and Engineering A   327 ( 1 )   1 - 6   2002

Theoretical analysis of field emission from atomically sharp aluminum tips Reviewed

Gohda, Y., Watanabe, S.

Surface Science   516 ( 3 )   265 - 271   2002

Ab initio calculation of the electric properties of Al atomic chains under finite bias voltages Reviewed

Furuya, S., Gohda, Y., Sasaki, N., Watanabe, S.

Japanese Journal of Applied Physics, Part 2: Letters   41 ( 9 A/B )   L989 - L991   2002

Total energy distribution of field-emitted electrons from Al(100) surface with single-atom terminated protrusion Reviewed

Gohda, Y., Watanabe, S.

Physical Review Letters   87 ( 17 )   2001

Self-consistent density functional calculation of field emission currents from metals Reviewed

Gohda, Y., Nakamura, Y., Watanabe, K., Watanabe, S.

Physical Review Letters   85 ( 8 )   1750 - 1753   2000

第一原理計算からみたNd-Fe-B磁石界面近傍のCuの役割

立津慶幸, 常行真司, 常行真司, 合田義弘, 合田義弘

日本金属学会講演概要(CD-ROM)   158th   2016

10aAQ-7 Construction and applications of a first-principles anharmonic lattice model considering long-range Coulomb interaction

Nishimoto T., Tadano T., Gohda Y., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   69 ( 2 )   178 - 178   2014.8

9aAK-6 Electronic structure calculation of fct-Fe/Cu(001)

Tatetsu Yasutomi, Tsuneyuki Shinji, Gohda Yoshihiro

Meeting abstracts of the Physical Society of Japan   69 ( 2 )   652 - 652   2014.8

8aAE-4 Theoretical consideration about the valence of hydrogen in an insulator

Yoshizawa Kanako, Iwazaki Yoshiki, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   69 ( 2 )   689 - 689   2014.8

7pBC-7 Development of a fisrt-principles method to calculate the single-ion magnetic anistropy and its applications to strain effects for Y_2Fe_<11>B

Gohda Y., Torbatian Z., Ozaki T., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   69 ( 2 )   268 - 268   2014.8

7pBC-6 First-principles analyses of structures and magnetic anisotropy energy of interfaces between Nd_2Fe_<14>B main phases and Nd oxides

Misawa H., Gohda Y., Tsuchiura H., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   69 ( 2 )   268 - 268   2014.8

10aAQ-3 Method for Calculating the One-Electron Spectrum of Large Systems based on Divide-and-Conquer Method

Yamada Shunsuke, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   69 ( 2 )   177 - 177   2014.8

9aBC-9 First-Principles Analysis of Magnetic Properties of ε-Fe_2O_3

Hirai D., Tsuneyuki S., Gohda Y.

Meeting abstracts of the Physical Society of Japan   69 ( 2 )   301 - 301   2014.8

9aAK-6 Electronic structure calculation of fct-Fe/Cu(001)

Tatetsu Yasutomi, Tsuneyuki Shinji, Gohda Yoshihiro

Meeting abstracts of the Physical Society of Japan   69 ( 2 )   296 - 296   2014.8

30aAL-6 Theoretical analysis of hydrogen in BaTiO_3 by first principles calculations of NMR chemical shifts

Sato Nobuya, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   69 ( 1 )   945 - 945   2014.3

30aAY-9 First-principles studies of interfaces between Nd_2Fe_<14>B grains and grain boundaries in Nd-Fe-B sintered magnets

Misawa H., Gohda Y., Tsuchiura H., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   69 ( 1 )   906 - 906   2014.3

Structural exploration utilizing modified potential energy surfaces

Endo T., Gohda Y., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   68 ( 2 )   255 - 255   2013.8

First-principles studies of charge states and NMR chemical shifts for hydrogen impurities in oxides

Sato Nobuya, Yoshizawa Kanako, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   68 ( 2 )   851 - 851   2013.8

Theoretical studies on the effect of higher-order phonon-phonon scatterings in semiconductors

Tadano Terumasa, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   68 ( 2 )   283 - 283   2013.8

Electron states and the origin of impurity hydrogen in oxide semiconductors with the rutile structure

Yoshizawa Kanako, lwazaki Yoshiki, Gohda Yoshihiro, Tsuneyuki Shinj

Meeting abstracts of the Physical Society of Japan   68 ( 2 )   867 - 867   2013.8

One-electron Spectrum Calculation based on Divide-and-Conquer method

Yamada Shunsuke, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   68 ( 2 )   255 - 255   2013.8

26aXS-4 First-principles studies of phonon transport properties in type-I clathrate compounds

Tadano Terumasa, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   68 ( 1 )   1011 - 1011   2013.3

27pPSA-17 Development of psuedopotentials based on hybrid-density functional theories and its applications

Yamamoto Y., Gohda Y., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   68 ( 1 )   371 - 371   2013.3

27pPSA-20 Structural Exploration Method utilizing Anharmonicity of Potential Energy Surfaces

Endo Tatsuya, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   68 ( 1 )   371 - 371   2013.3

26pPSA-40 First-principles studies of interfaces between Nd_2Fe_<14>B grains and grain boundaries in Nd_2Fe_<14>B sintered magnets

Misawa H., Gohda Y., Tsuchiura H., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   68 ( 1 )   979 - 979   2013.3

26aXS-6 First-principles calculation of oxygen vacancy and impurity hydrogen in rutile TiO_2

Yoshizawa Kanako, Iwazaki Yoshiki, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   68 ( 1 )   1011 - 1011   2013.3

Development of an improved tetrahedron method for the Brillouin zone integration in linear response calculations

Kawamura M, Gohda Y, Tsuneyuki S

Meeting Abstracts of the Physical Society of Japan   68 ( 0 )   236 - 236   2013

18pAD-3 Ab initio calculation of light element superconductors based on density functional theory for superconductors

Kawamura M., Gohda Y., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   67 ( 2 )   233 - 233   2012.8

19aEC-12 Structral phase transition of graphene accompanied by GaN growth

Gohda Y., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   67 ( 2 )   770 - 770   2012.8

19aPSB-22 Structural Exploration by Scaled Hypersphere Search and Force Inversion

Endo Tatsuya, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   67 ( 2 )   260 - 260   2012.8

19aAG-12 First-principles studies of phonon transport properties in the thermoelectric materials

Tadano Terumasa, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   67 ( 2 )   857 - 857   2012.8

19aPSB-19 Development of psuedopotentials based on hybrid-density functional theories

Yamamoto Y., Gohda Y., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   67 ( 2 )   259 - 259   2012.8

26pCJ-2 Optical conductivity of dilute nitride GaNP from first principles

Gohda Y., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   67 ( 1 )   745 - 745   2012.3

27aBG-5 Contribution from anisotropic electron-phonon coupling in density functional calculations for superconductors

Kawamura M., Gohda Y., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   67 ( 1 )   372 - 372   2012.3

20aFF-5 First-principles calculations for the electric double-layer capacitance on solid-liquid interfaces

Ando Yasunobu, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting Abstracts of the Physical Society of Japan   67 ( 0 )   831 - 831   2012

21pGT-7 Ab initio prediction of superconducting transition temperature based on density functional theory for superconductors

Kawamura M., Gohda Y., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   66 ( 2 )   209 - 209   2011.8

22aHA-11 First-principles study on the electric double layer capacitance at water-metal interfaces

Ando Yasunobu, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   66 ( 2 )   909 - 909   2011.8

24pHA-11 Thermal conductivity calculations of nanowires with first principles anharmonic lattice model

Tadano Terumasa, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   66 ( 2 )   961 - 961   2011.8

23pHA-8 Possibility of d^0 magnetism at interfaces

Gohda Y., Tstuneyuki S.

Meeting abstracts of the Physical Society of Japan   66 ( 2 )   933 - 933   2011.8

28pTG-1 First-principles study on the electronic double layer at solid-liquid interfaces

Ando Yasunobu, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   66 ( 1 )   945 - 945   2011.3

28aPS-67 Development of first-principles anharmonic lattice model and its applications to thermal conductivity calculations

Tadano Terumasa, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   66 ( 1 )   362 - 362   2011.3

28pTG-3 Ab initio calculations on spin properties of nitride-boride interfaces

Gohda Y., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   66 ( 1 )   946 - 946   2011.3

26pWY-3 Lattice thermal-conductivity calculations with first-principles anharmonic lattice model

Tadano Terumasa, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   65 ( 2 )   929 - 929   2010.8

22pHS-10 First-principles modeling of anharmonic lattice vibration in crystals

Tadano Terumasa, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   65 ( 1 )   1000 - 1000   2010.3

21aGL-6 First-principles study on Schottky contact at Al/SiON/SiC(0001) Interfaces

Ando Yasunobu, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting Abstracts of the Physical Society of Japan   65 ( 0 )   934 - 934   2010

25pRA-4 Ab initio calculations on nitride/boride interfaces

Gohda Y., Tsuneyuki S.

Meeting abstracts of the Physical Society of Japan   64 ( 2 )   333 - 333   2009.8

26aYG-3 Analysis of the electronic properties on Al atom-adsorbed SiON/SiC(0001) surface system

Ando Yasunobu, Gohda Yoshihiro, Tsuneyuki Shinji

Meeting abstracts of the Physical Society of Japan   64 ( 2 )   809 - 809   2009.8

30aVE-4 First-principles calculations for spin polarization and structure relaxation of multivacancies in GaN

Gohda Y., Oshiyama A.

Meeting abstracts of the Physical Society of Japan   64 ( 1 )   711 - 711   2009.3

21aYK-9 Magnetism due to cation vacancies in nitride semiconductors

Gohda Y., Oshiyama A.

Meeting abstracts of the Physical Society of Japan   63 ( 2 )   604 - 604   2008.8

21aPS-9 First-Principles Study on the Separation and Bias-Voltage Dependences of the Force between Jellium Electrodes

Nakamura Y., Tanaka M., Furuya S., Gohda Y., Watanabe S.

Meeting abstracts of the Physical Society of Japan   60 ( 2 )   756 - 756   2005.8

Effects of atomic species of the tip on apparent barrier height

Totsuka H., Gohda Y., Furuya S., Watanabe S.

Meeting abstracts of the Physical Society of Japan   58 ( 2 )   770 - 770   2003.8

Bias voltage dependence of tunneling barrier height on Al surface

Totsuka H., Gohda Y., Furuya S., Watanabe S.

Meeting abstracts of the Physical Society of Japan   58 ( 1 )   847 - 847   2003.3

28pPSB-10 First Principles Study of Forces Acting on Nanostructures in Electric Fields II

Hu C. P., Gohda Y., Furuya S., Watanabe S.

Meeting abstracts of the Physical Society of Japan   58 ( 1 )   847 - 847   2003.3

Ab Initio Calculation of Capacitance of Nano Scale Structures

Tanaka M., Gohda Y., Furuya S., Watanabe S.

Meeting abstracts of the Physical Society of Japan   58 ( 1 )   848 - 848   2003.3

Electric Properties of Al Atomic Chains under Finite Bias Voltages

Furuya S., Gohda Y., Sasaki N., Watanabe S.

Meeting abstracts of the Physical Society of Japan   58 ( 1 )   890 - 890   2003.3

Ab initio calculations of field emission from Si(100) surfaces

Gohda Y., Watanabe S.

Meeting abstracts of the Physical Society of Japan   58 ( 1 )   890 - 890   2003.3

Theoretical analysis of tunneling barrier height at defect sites on Al(100) surface.

Totsuka H., Gohda Y., Furuya S., Watanabe S.

Meeting abstracts of the Physical Society of Japan   57 ( 2 )   739 - 739   2002.8

9aSM-14 The effect of charging on the transport properties of single molecules

Gohda Y., Watanabe S., Pantelides S.T.

Meeting abstracts of the Physical Society of Japan   57 ( 2 )   781 - 781   2002.8

Numerical simulation of field emission current considering space charge

Sasaki N., Watanabe S., Gohda Y., Fujita H.

Meeting abstracts of the Physical Society of Japan   57 ( 2 )   751 - 751   2002.8

25pPSB-2 The analysis of the local work function based on ab initio calculation.

Totsuka H., Gohda Y., Furuya S., Watanabe S.

Meeting abstracts of the Physical Society of Japan   57 ( 1 )   836 - 836   2002.3

25pPSB-3 Ab Initio Calculation of Electric Properties of AI Atomic Chains II : Effects of Junction Structure

Furuya S., Gohda Y., Sasaki N., Watanabe S.

Meeting abstracts of the Physical Society of Japan   57 ( 1 )   836 - 836   2002.3

25pPSB-4 First Principles Study of Forces Acting on Nanostructures in Electric Fields

Hu C.P., Gohda Y., Furuya S., Watanabe S.

Meeting abstracts of the Physical Society of Japan   57 ( 1 )   836 - 836   2002.3

Ab Initio Calculation of Electric Properties of Al Atomic Chains : Effects of Bias Voltage and Structure

Furuya S., Gohda Y., Sasaki N., Watanabe S.

Meeting abstracts of the Physical Society of Japan   56 ( 2 )   754 - 754   2001.9

Ab Initio Calculation of Field Emission Spectra from Nanostructures

Gohda Y., Watanabe S.

Meeting abstracts of the Physical Society of Japan   56 ( 2 )   755 - 755   2001.9

Ab Initio Calculation of Field Emission Currents from Metals III.

Gohda Y., Watanabe S.

Meeting abstracts of the Physical Society of Japan   56 ( 1 )   831 - 831   2001.3

Ab Initio Calculation of Field Emission Currents from Metals II.

Gohda Y., Watanabe S.

Meeting abstracts of the Physical Society of Japan   55 ( 2 )   805 - 805   2000.9

Ab Inito Calculation of Field Emission Currcnts from Metals

Gohda Y., Nakamura Y., Watanabe K., Watanabe S.

Meeting abstracts of the Physical Society of Japan   55 ( 1 )   777 - 777   2000.3

強電界下におけるナノ構造の電子状態と電気特性の理論解析

Grant number：02J08213  2002 - 2003

日本学術振興会  科学研究費助成事業 特別研究員奨励費  特別研究員奨励費

合田 義弘