@book{CTT100865919,
  author = {合田義弘},
  title = {磁性材料の第一原理電子論と磁気特性の解析},
  publisher = {技術情報協会},
  year = 2022,
}

@book{CTT100787932,
  author = {合田 義弘},
  title = {第一原理計算による永久磁石材料の局所磁性},
  publisher = {NTS},
  year = 2019,
}

@article{CTT100908505,
  author = {Manabu Watanabe and 高木康多 and Tomonori Tanaka and Yoshihiro Gohda and Masayoshi Adachi and Masahito Uchikoshi and Tetsuya Nakamura and Masaki Takata and HIROYUKI FUKUYAMA},
  title = {Clarification of origin of positive excess volume of Pd–Fe binary alloys by using first-principles calculations and HAXPES},
  journal = {Acta Materialia},
  year = 2024,
}

@article{CTT100895952,
  author = {Satoru Enomoto and Sonju Kou and Taichi Abe and Yoshihiro Gohda},
  title = {Subphase exploration for SmFe<sub>12</sub>-based permanent magnets by Gibbs energies obtained with first-principles cluster-expansion method},
  journal = {Journal of Alloys and Compounds},
  year = 2023,
}

@article{CTT100895951,
  author = {Soma Nishino and Yoshihiro Gohda},
  title = {Structures of Sm-Cu intermetallics with Fe as subphase candidates in SmFe<sub>12</sub>-based permanent magnets studied by first-principles thermodynamics},
  journal = {Japanese Journal of Applied Physics},
  year = 2023,
}

@article{CTT100895950,
  author = {Shunsuke Tsuna and Yoshihiro Gohda},
  title = {First-principles phonon calculations of neodymium-magnet compounds},
  journal = {Journal of Applied Physics},
  year = 2023,
}

@article{CTT100885219,
  author = {合田義弘 and Rafael Costa-Amaral},
  title = {マルチフェロイク界面とその関連表面の第一原理電子論},
  journal = {表面と真空},
  year = 2023,
}

@article{CTT100884328,
  author = {Shunsuke Tsuna and Rafael Costa-Amaral and Yoshihiro Gohda},
  title = {Origin of anisotropic magnetoresistance tunable with electric field in Co2FeSi/BaTiO3 multiferroic interfaces},
  journal = {J. Appl. Phys.},
  year = 2022,
}

@article{CTT100895949,
  author = {Ogino, T. and Insung Seo and Tajiri, H. and Nakatake, M. and Takakura, S.-I. and Sato, Y. and Hasegawa, Y. and Yoshihiro Gohda and Kan Nakatsuji and HIROYUKI HIRAYAMA},
  title = {Superconductivity in a two monolayer thick indium film on Si(111) 3 × 3 -B},
  journal = {Physical Review B},
  year = 2022,
}

@article{CTT100895948,
  author = {Fujii, S. and Usami, T. and Shiratsuchi, Y. and Kerrigan, A.M. and Amran Mahfudh Yatmeidhy and Yamada, S. and Kanashima, T. and Nakatani, R. and Lazarov, V.K. and Oguchi, T. and Yoshihiro Gohda and Hamaya, K.},
  title = {Giant converse magnetoelectric effect in a multiferroic heterostructure with polycrystalline Co<sub>2</sub>FeSi},
  journal = {NPG Asia Materials},
  year = 2022,
}

@article{CTT100865920,
  author = {合田 義弘},
  title = {希土類磁石における粒界原子配置と磁性の第一原理電子論},
  journal = {粉体および粉末冶金},
  year = 2022,
}

@article{CTT100867992,
  author = {R. Costa-Amaral and Yoshihiro Gohda},
  title = {Role of Ferroelectricity, Delocalization, and Occupancy of d States in the Electrical Control of Interface-Induced Magnetization},
  journal = {Physical Review Applied},
  year = 2021,
}

@article{CTT100846250,
  author = {Yoshihiro Gohda},
  title = {First-principles determination of intergranular atomic arrangements and magnetic properties in rare-earth permanent magnets},
  journal = {Science and Technology of Advanced Materials},
  year = 2021,
}

@article{CTT100840062,
  author = {Tomonori Tanaka and Yoshihiro Gohda},
  title = {Prediction of the Curie temperature considering the dependence of the phonon free energy on magnetic states},
  journal = {npj Computational Materials},
  year = 2020,
}

@article{CTT100833701,
  author = {K. Sugawara and I. Seo and S. Yamazaki and K. Nakatsuji and Y. Gohda and H. Hirayama},
  title = {Effective quantum-well width of confined electrons in ultrathin Ag(111) films on Si(111)7x7 substrates},
  journal = {Surface Science},
  year = 2020,
}

@article{CTT100830938,
  author = {Tomonori Takana and Yoshihiro Gohda},
  title = {First-principles study of magnetism-dependent phonons governed by exchange ligand field},
  journal = {J. Phys. Soc. Jpn.},
  year = 2020,
}

@article{CTT100826943,
  author = {I. Seo and S. Yokota and Y. Imai and Y. Gohda},
  title = {First-principles Calculations on High-temperature Desorption Loss from Iridium},
  journal = {Comput. Mater. Sci.},
  year = 2020,
}

@article{CTT100826942,
  author = {Y. Ainai and S. Kou and Y. Tatetsu and Y. Gohda},
  title = {First-principles study on magnetism of a crystalline grain-boundary phase in Nd–Fe–B permanent magnets},
  journal = {Jpn. J. Appl. Phys.},
  year = 2020,
}

@article{CTT100826941,
  author = {R. Costa-Amaral and Y. Gohda},
  title = {First-principles study of the adsorption of 3d transition metals on BaO- and TiO2-terminated cubic-phase BaTiO3(001) surfaces},
  journal = {J. Chem. Phys.},
  year = 2020,
}

@article{CTT100820238,
  author = {Yuta Ainai and Tomoharu Shiozawa and Yasutomi Tatetsu and Yoshihiro Gohda},
  title = {First-principles study on surface stability and interface magnetic properties of SmFe12},
  journal = {Applied Physics Express},
  year = 2020,
}

@article{CTT100814851,
  author = {Yuta Ainai and Yasutomi Tatetsu and Asako Terasawa and Yoshihiro Gohda},
  title = {First-principles study of crystalline Nd-Fe alloys},
  journal = {Applied Physics Express},
  year = 2020,
}

@article{CTT100814850,
  author = {Yasunari Hamazaki and Yoshihiro Gohda},
  title = {Enhancement of magnetoelectric coupling by insertion of Co atomic layer into Fe3Si/BaTiO3(001) interfaces identified by first-principles calculations},
  journal = {J. Appl. Phys.},
  year = 2019,
}

@article{CTT100809445,
  author = {K. Kudo and Y. Hamazaki and S. Yamada and S. Abo and Y. Gohda and K. Hamaya},
  title = {Great Differences between Low-Temperature Grown Co2FeSi and Co2MnSi Films on Single-Crystalline Oxides},
  journal = {ACS Appl. Electron. Mater.},
  year = 2019,
}

@article{CTT100808046,
  author = {Asako Terasawa and Munehisa Matsumoto and Taisuke Ozaki and Yoshihiro Gohda},
  title = {Efficient Algorithm Based on Liechtenstein Method for Computing Exchange Coupling Constants Using Localized Basis Set},
  journal = {J. Phys. Soc. Jpn.},
  year = 2019,
}

@article{CTT100787323,
  author = {Kazuhiro Fujita and Yoshihiro Gohda},
  title = {First-principles study of magnetoelectric coupling at Fe/BiFeO3 (001) interfaces},
  journal = {Phys. Rev. Appl.},
  year = 2019,
}

@article{CTT100786881,
  author = {Tomonori Tanaka and Yoshihiro Gohda},
  title = {First-principles prediction of one-dimensional giant Rashba splittings in Bi-adsorbed In atomic chains},
  journal = {Physical Review B},
  year = 2018,
}

@article{CTT100786880,
  author = {Y. Tatetsu and S. Tsuneyuki and Y. Gohda},
  title = {First-principles study on substitution effects in Nd2(Fe, X)14B},
  journal = {Mater.},
  year = 2018,
}

@article{CTT100786882,
  author = {S. Nakashima and T. Miyamachi and Y. Tatetsu and Y. Takahashi and Y. Takagi and Y. Gohda and T. Yokoyama and F .Komori},
  title = {Dynamic Interface Formation in Magnetic Thin Film Heterostructures},
  journal = {Adv. Funct. Mater.},
  year = 2018,
}

@article{CTT100777443,
  author = {A. Terasawa and Y. Gohda},
  title = {Hidden order in amorphous structures: Extraction of nearest neighbor networks of amorphous Nd-Fe alloys with Gabriel graph analyses},
  journal = {J. Chem. Phys.},
  year = 2018,
}

@article{CTT100770169,
  author = {Y. Tatetsu and Y. Harashima and T. Miyake and Y. Gohda},
  title = {Role of typical elements in Nd2Fe14X (X=B, C, N, O, F)},
  journal = {Phys. Rev. Mater.},
  year = 2018,
}

@article{CTT100768462,
  author = {N. Tsuji and Yoshihiro Gohda and et al.},
  title = {Temperature dependence of the crystal structures and phase fractions of secondary phases in a Nd-Fe-B sintered magnet},
  journal = {Acta Mater.},
  year = 2018,
}

@article{CTT100757874,
  author = {Shogo Nakamura and Yoshihiro Gohda},
  title = {Prediction of ferromagnetism in MnB and MnC on nonmagnetic transition-metal surfaces studied by first-principles calculations},
  journal = {Phys. Rev. B},
  year = 2017,
}

@article{CTT100744462,
  author = {Y. Tatetsu and S. Tsuneyuki and Yoshihiro Gohda},
  title = {First-Principles Study of the Role of Cu in Improving the Coercivity of Nd-Fe-B Permanent Magnets},
  journal = {Phys. Rev. Appl.},
  year = 2016,
}

@article{CTT100744487,
  author = {T. Miyamachi and S. Nakashima and S. Kim and N. Kawamura and Y. Tatetsu and Yoshihiro Gohda and S. Tsuneyuki and F. Komori},
  title = {Epitaxially stabilized iron thin films via effective strain relief from steps},
  journal = {Phy. Rev. B},
  year = 2016,
}

@article{CTT100744490,
  author = {T. Tadano and Yoshihiro Gohda and S. Tsuneyuki},
  title = {Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study},
  journal = {Phys. Rev. Lett.},
  year = 2015,
}

@article{CTT100744508,
  author = {T. Nakamura and Yoshihiro Gohda and et al.},
  title = {Direct observation of ferromagnetism in grain boundary phase of Nd-Fe-B sintered magnet using soft x-ray magnetic circular dichroism},
  journal = {Appl. Phys. Lett.},
  year = 2014,
}

@article{CTT100744514,
  author = {Z. Torbatian and T. Ozaki and S. Tsuneyuki and Yoshihiro Gohda},
  title = {Strain effects on the magnetic anisotropy of Y2Fe14B examined by first-principles calculations},
  journal = {Appl. Phys. Lett.},
  year = 2014,
}

@article{CTT100744526,
  author = {T. Tadano and Yoshihiro Gohda and S. Tsuneyuki},
  title = {Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations},
  journal = {J. Phys. Condens.  Matter},
  year = 2014,
}

@article{CTT100744533,
  author = {M. Kawamura and Yoshihiro Gohda and S. Tsuneyuki},
  title = {Improved tetrahedron method for the Brillouin-zone integration applicable to response functions},
  journal = {Phys. Rev. B},
  year = 2014,
}

@article{CTT100744536,
  author = {Y. Iwazaki and Yoshihiro Gohda and S. Tsuneyuki},
  title = {Diversity of hydrogen configuration and its roles in SrTiO3-δ},
  journal = {APL Mater.},
  year = 2014,
}

@article{CTT100744538,
  author = {Yoshihiro Gohda and S. Tsuneyuki},
  title = {Optical conductivity of highly mismatched GaP alloys},
  journal = {Appl. Phys. Lett.},
  year = 2013,
}

@article{CTT100744540,
  author = {Yoshihiro Gohda and S. Tsuneyuki},
  title = {Structural phase transition of graphene caused by GaN epitaxy},
  journal = {Appl.  Phys.  Lett.},
  year = 2012,
}

@article{CTT100744542,
  author = {Yoshihiro Gohda and S. Tsuneyuki},
  title = {Two-dimensional intrinsic ferromagnetism at nitride-boride interfaces},
  journal = {Phys.  Rev.  Lett.},
  year = 2011,
}

@article{CTT100744544,
  author = {Yoshihiro Gohda and A. Oshiyama},
  title = {Stabilization Mechanism of Vacancies in Group-III Nitrides: Exchange Splitting and Electron Transfer},
  journal = {J.  Phys.  Soc.  Jpn.},
  year = 2010,
}

@article{CTT100744583,
  author = {Yoshihiro Gohda and S. Watanabe and A. Groß},
  title = {Quantum Electron Transport through Ultrathin Si Films: Effects of Interface Passivation on Fermi-Level Pinning},
  journal = {Phys. Rev.  Lett.},
  year = 2008,
}

@article{CTT100744553,
  author = {Yoshihiro Gohda and A. Oshiyama},
  title = {Intrinsic ferromagnetism due to cation vacancies in Gd-doped GaN: First-principles calculations},
  journal = {Phys.  Rev.  B},
  year = 2008,
}

@article{CTT100744549,
  author = {Yoshihiro Gohda and S. Schnur and A. Groß},
  title = {Influence of water on elementary reaction steps in electrocatalysis},
  journal = {Faraday Discuss.},
  year = 2008,
}

@article{CTT100744586,
  author = {Yoshihiro Gohda and S.T. Pantelides},
  title = {Charging of Molecules during Transport},
  journal = {Nano Lett.},
  year = 2005,
}

@article{CTT100744589,
  author = {Yoshihiro Gohda and S. Watanabe},
  title = {Total Energy Distribution of Field-Emitted Electrons from Al(100) Surface with Single-Atom Terminated Protrusion},
  journal = {Phys. Rev. Lett.},
  year = 2001,
}

@article{CTT100744591,
  author = {Yoshihiro Gohda and S. Watanabe},
  title = {Self-Consistent Density Functional Calculation of Field Emission Currents from Metals},
  journal = {Phys. Rev. Lett.},
  year = 2000,
}

@inproceedings{CTT100910092,
  author = {橋本宏太 and 田中友規 and 合田義弘},
  title = {TiおよびTi基合金の自己無撞着フォノン計算},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100910918,
  author = {Amran Yatmeidhy and Yoshihiro Gohda},
  title = {Strain-dependent Magnetic Anisotropy in Heusler Alloys Induced by Orbital and Quadrupole Moments},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100910309,
  author = {田中友規 and 合田 義弘},
  title = {ノンコリニア密度汎関数法を用いた交換結合定数の非摂動論的計算},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100910110,
  author = {橋本宏太 and 田中友規 and 合田義弘},
  title = {自己無撞着フォノン理論に基づく純TiおよびTi基合金の相安定性評価},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100906515,
  author = {橋本宏太 and 合田義弘},
  title = {bcc および hcp Ti の自己無撞着フォノン計算},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100923191,
  author = {矢内佑樹 and 渡邉 学 and Yaw Wang Chai and 合田義弘 and 木村 好里},
  title = {ZrPtSn系Half-Heusler合金の熱電特性にCo置換が及ぼす影響},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100906917,
  author = {丸尾優太 and 中島広豊 and 竹山雅夫 and 合田義弘},
  title = {クラスター展開を用いたTi-Al-Nb合金の評価},
  booktitle = {日本金属学会 2023年度秋期講演大会講演概要集},
  year = 2023,
}

@inproceedings{CTT100891113,
  author = {U. Shibata and Kota Hashimoto and H. Nakashima and M. Takeyama and Y. Gohda},
  title = {First-principles study of transition-metal β stabilizers in Ti-Al-O},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100896099,
  author = {Ruona Tang and Hirotoyo Nakashima and Yoshihiro Gohda and Masao Takeyama},
  title = {Phase Equilibria Between α-Ti/α2-Ti3Al Phases near 1473 K in TiAl Alloys Containing Oxygen},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100887492,
  author = {榎本悟 and 高 成柱 and 阿部太一 and 合田義弘},
  title = {クラスター展開法による Sm-Fe-Cu 系 B2 合金の相安定性評価},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100901684,
  author = {竹村晃一 and 片野達貴 and 河添理央 and Insung Seo and 飯盛拓嗣 and 小森文夫 and 小澤健一 and 間瀬一彦 and 合田義弘 and 平山博之 and 中辻寛},
  title = {SiC(0001)基板上に成長したグラフェンへのFeインターカレーション},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100892405,
  author = {Hanif Yuandi Widyandaru and Gohda Yoshihiro},
  title = {First-principles calculations of magnetoelectric effects induced by phase transitions in GeSe/Ni/GeSe thin film},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100891110,
  author = {合田 義弘 and 柴田 右京 and 中島 広豊 and 竹山 雅夫},
  title = {Ti-Al-O 合金における β 安定化元素の第一原理電子論},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100887493,
  author = {榎本 悟 and 高成柱 and 阿部太一 and 合田義弘},
  title = {クラスター展開法による Sm-Fe-Cu 系 B2 不規則相の 熱力学相安定性の評価},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100887407,
  author = {Hanif Yuandi Widyandaru and Yoshihiro Gohda},
  title = {First-principles Calculations of Ni/GeSe Interfaces with Antiferroelectric and Ferroelectric Polarizations},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100887258,
  author = {渡會亮太 and Amran Mahfudh Yatmeidhy and 合田義弘},
  title = {Co-Mn規則合金の磁気異方性及び安定構造に関する第一原理計算},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100887256,
  author = {渡會亮太 and Amran Mahfudh Yatmeidhy and 合田義弘},
  title = {bcc強磁性Co3Mn規則合金の磁気異方性及び安定性に関する第一原理計算},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100887144,
  author = {Amran Mahfudh Yatmeidhy and Yoshihiro Gohda},
  title = {Effect of lattice domain shape on the magnetic anisotropy of Co2FeSi/BaTiO3 (001)},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100887141,
  author = {Amran Mahfudh Yatmeidhy and Yoshihiro Gohda},
  title = {First-principles study of magnetoelectric properties enhanced by lattice-domain modifications},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100887136,
  author = {Amran Mahfudh Yatmeidhy and Yoshihiro Gohda},
  title = {The origin of magnetoelectric effect in BaTiO3-based multiferroic heterostructures considering the lattice domain modification},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100886739,
  author = {西野 颯馬 and 合田 善弘},
  title = {SmFe12基新磁石材料の副相候補Sm-Cu-Feの安定構造評価},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100885460,
  author = {綱 駿介 and 合田 義弘},
  title = {ネオジム磁石化合物におけるフォノン特性の第一原理研究},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100885459,
  author = {綱駿介 and 合田義弘},
  title = {軽元素がネオジム磁石化合物のフォノン特性に及ぼす影響についての第一原理的研究},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100883021,
  author = {Insung Seo and Kan Nakatsuji and Hiroyuki Hirayama and Yoshihiro Gohda},
  title = {Electronic structure and interactions of In thin film on Si(111)√3×√3-B},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100882001,
  author = {Insung Seo and Kan Nakatsuji and Hiroyuki Hirayama and Yoshihiro Gohda},
  title = {Interfacial Structures of In Double Layers on Si(111)√3×√3-B Substrates},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100901679,
  author = {T. Ogino and I. Seo and H. Tajiri and M. Nakatake and S. Takakura and Y. Sato and Y. Hasegawa and Y. Gohda and K. Nakatsuji and H. Hirayama},
  title = {Intrinsic superconductivity of two monolayer thick Indium film},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100882002,
  author = {Insung Seo and Kan Nakatsuji and Hiroyuki Hirayama and Yoshihiro Gohda},
  title = {Electronic structure of In ultrathin films adsorbed on Si(111)√3×√3-B surfaces},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100868796,
  author = {S. Tsuna and R. Costa-Amaral and Y. Gohda},
  title = {Electric field dependence of anisotropic magnetoresistance in Co2FeSi/BaTiO3 multiferroic interfaces},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100868811,
  author = {Amran Mahfudh Yatmeidhy and Rafael Costa-Amaral and Yoshihiro Gohda},
  title = {Magnetic Anisotropy Modulation at Co2FeSi/BaTiO3 Interfaces : a First-principles Study},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100868703,
  author = {Insung Seo and Kan Nakatsuji and Hiroyuki Hirayama and Yoshihiro Gohda},
  title = {Structural and Electronic Properties of In Double Layers on Si(111)√3×√3-B},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100867181,
  author = {中島 広豊 and 樫本 貴之 and 合田 義弘 and 竹山 雅夫},
  title = {第一原理計算を援用した Ti-Al-O 三元系状態図の計算},
  booktitle = {令和 4 年 3 月 1 日発行「まてりあ」Vol.61 No.3 付録},
  year = 2022,
}

@inproceedings{CTT100868701,
  author = {Amran Mahfudh Yatmeidhy and Rafael Costa-Amaral and Yoshihiro Gohda},
  title = {First-principles study of the magnetic anisotropy at Co2FeSi/BaTiO3 interfaces},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100868664,
  author = {Chen Yu-An and Manabu Watanabe and Yoshihiro Gohda and Yoshisato Kimura and Yaw-Wang Chai},
  title = {Evaluation of N-P type conversion mechanism in  thermoelectric Zr(Ni, X)Sn (X= Ir, Co) by first- principles calculation},
  booktitle = {},
  year = 2022,
}

@inproceedings{CTT100867180,
  author = {樫本 貴之 and 中島 広豊 and 竹山 雅夫 and 合田 義弘},
  title = {第一原理電子論に基づく Ti-Al 基合金における相平衡の評価},
  booktitle = {令和 4 年 3 月 1 日発行「まてりあ」Vol.61 No.3 付録},
  year = 2022,
}

@inproceedings{CTT100868702,
  author = {Shunsuke Tsuna and Rafael Costa-Amaral and Yoshihiro Gohda},
  title = {Origin of the anisotropic magnetoresistance effect tunable with electric field in Co2FeSi/BaTiO3 interfacial multiferroic system},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100863538,
  author = {I. Seo and K. Nakatsuji and H. Hirayama and Y. Gohda},
  title = {First-principles study of In double layers on Si(111) √3 × √3 -B substrates},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100863537,
  author = {Y. Gohda and R. Costa-Amaral and A. M. Yatmeidhy},
  title = {Multiferroic interfaces studied by first-principles electron theory},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100861875,
  author = {Yoshihiro Gohda},
  title = {Multiscale analyses of interfaces and phase equilibria in magnetic materials},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100845932,
  author = {Amran Mahfudh Yatmeidhy and Rafael Costa-Amaral and Yoshihiro Gohda},
  title = {First-principles calculation of (Ni/Cu)PMN-PT(001) heterostructure},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100845941,
  author = {田中 友規 and 合田 義弘},
  title = {磁気状態に依存するフォノンが磁気的熱平衡状態へ及ぼす影響の第一原理的研究},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100845931,
  author = {Tomonori Tanaka and Yoshihiro Gohda},
  title = {Magnetism-dependent phonons and its effect on magnetic phase transition from first principles},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100845936,
  author = {手島 涼 and 横田 俊介 and 今井 庸介 and 合田 義弘},
  title = {第一原理計算によるIr合金の力学特性評価2},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100845934,
  author = {Rafael Costa-Amaral and Yoshihiro Gohda},
  title = {Tuning the magnetoelectric effect via metal substitution at ferromagnetic/ferroelectric interfaces},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100845942,
  author = {高 成柱 and 合田 義弘},
  title = {第一原理計算を用いたNd2Fe14BとNd2Feジグザグ界面の磁気特性解析},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100845938,
  author = {田中 友規 and 合田 義弘},
  title = {磁気状態に依存するフォノンが時勢に及ぼす熱力学的フィードバック効果とその影響},
  booktitle = {},
  year = 2021,
}

@inproceedings{CTT100833370,
  author = {合田 義弘},
  title = {磁石材料組織の第一原理電子論による検討},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100830937,
  author = {Amran Mahfudh Yatmeidhy and Yoshihiro Gohda},
  title = {First-principles Calculation of Pb(Mg1/3Nb2/3)O3-PbTiO3 (PMN-PT)：A Study of Atomic Arrangement Models.},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820243,
  author = {Insung Seo and 横田俊介 and 今井庸介 and 合田義弘},
  title = {イリジウムとその合金における表面脱離消耗の評価},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820244,
  author = {中津 大輔 and 合田 義弘},
  title = {TiAl合金における添加元素の影響},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820245,
  author = {高 成柱 and 阿部 太一 and 合田 義弘},
  title = {永久磁石設計のための第一原理計算を用いたSm-Fe-Cu三元系状態図作成},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820246,
  author = {塩沢 知春 and 相内 優太 and 立津 慶幸 and 合田 義弘},
  title = {第一原理計算によるSmFe12の表面の安定性と界面の磁気特性の解明},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820247,
  author = {相内 優太 and 立津 慶幸 and 寺澤 麻子 and 合田 義弘},
  title = {第一原理計算によるNd-Fe合金の構造同定},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820248,
  author = {手島 涼 and 横田 俊介 and 今井 庸介 and 合田 義弘},
  title = {第一原理計算によるIr合金の力学特性評価},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820254,
  author = {Insung Seo and Shunsuke Yokota and Yousuke Imai and Yoshihiro Gohda},
  title = {First-principles calculations on IrO3 desorbability at high temperatures},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820253,
  author = {Yuta Ainai and Y. Tatetsu and A. Terasawa and Y. Gohda},
  title = {First-principles Study on Crystalline Nd-Fe alloys as Candidate Structures for Grain-Boundaries in Nd-Fe-B Sintered Magnets},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820251,
  author = {Tomonori Tanaka and Y. Gohda},
  title = {The shift of the Curie temperature in bcc-Fe by phonon softening: first-principles phonon and Monte Carlo calculations},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820252,
  author = {Tomoharu Shiozawa and Yuta Ainai and Y. Tatetsu and Y. Gohda},
  title = {First-principles calculations on the surfaces and interfaces of SmFe12},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820250,
  author = {Yasunari Hamazaki and Yoshihiro Gohda},
  title = {Enhancement of magnetoelectric coupling by insertion of Co atomic layer into Fe3Si/BaTiO3(001) interfaces identified by first-principles calculations},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820249,
  author = {寺澤 麻子 and 相内 優太 and 尾崎 泰助 and 合田 義弘},
  title = {局在基底密度汎関数法による磁性金属の交換結合定数計算},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820239,
  author = {Amran Mahfudh Yatmeidhy and Yoshihiro Gohda},
  title = {First-principles calculation of ferroelectric material: PbTiO3 study},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820240,
  author = {濱崎恭考 and 合田義弘},
  title = {Co2FeSi/BaTiO3界面における磁気的性質の解析},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820241,
  author = {田中友規 and 合田義弘},
  title = {フォノン自由エネルギーの磁気秩序依存性によるキュリー温度の変化},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820242,
  author = {馬場啓太 and 合田義弘},
  title = {合金吸着Si(111)-B表面の電子状態},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820460,
  author = {寺澤麻子 and 塩沢知春 and 相内優太 and 尾崎泰助 and 合田義弘},
  title = {密度汎関数法を用いた交換結合定数の計算と磁石材料への応用},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820461,
  author = {高 成柱 and 阿部 太一 and 合田 義弘},
  title = {Sm-Fe系永久磁石材料のための密度汎関数理論を用いた状態図計算},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820277,
  author = {田中 友規 and 合田 義弘},
  title = {フォノン振動数の温度依存性に起因するキュリー温度の変化},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820459,
  author = {A. Terasawa and Y. Gohda},
  title = {DFT calculation of exchange coupling constants using localized basis sets and its application to permanent magnet materials},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820276,
  author = {田中 友規 and 合田 義弘},
  title = {フォノンと磁性の相関},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100814849,
  author = {合田 義弘},
  title = {磁石材料における界面・粒界の電子論},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100820391,
  author = {Sonju KOU and Taichi ABE and Yoshihiro GOHDA},
  title = {Theoretical Sm-Fe-Cu ternary phase diagram for subphase-exploration of SmFe12permanent magnets},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100820761,
  author = {合田 義弘},
  title = {究極性能磁石の開発に向けた磁石材料組織の電子論による理論解析},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100820762,
  author = {R. Costa-Amaral and Y. Gohda},
  title = {Using DFT to Investigate the Magnetoelectric Coupling at Fe3Si/Tm/BaTiO3 (001) (TM = Sc to Cd) Interfaces},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100820275,
  author = {I. Seo and S. Yokota and Y. Imai and Y. Gohda},
  title = {Forecasting of IrO3 Desorbability from Iridium Alloys by First-principles Study},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100820279,
  author = {Yuta Ainai and Y. Gohda},
  title = {First-principles study of magnetic properties of Nd-Fe alloys in Nd-Fe-B magnets},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100820390,
  author = {A. Terasawa and T. Shiozawa and Y. Gohda},
  title = {First-principles study of interface magnetism in materials structures of Nd-Fe-B sintered magnets},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100820260,
  author = {Rafael Costa-Amaral and Yoshihiro Gohda},
  title = {A First Principles Study of Magnetoelectric Coupling at Fe 3 Si/TM/BaTiO 3  (001) (TM = Sc to Cd) Interfaces},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100806989,
  author = {R. Teshima and S. Yokota and Y. Imai and Y. Gohda},
  title = {Evaluation of solid-solution strengthening of alloys},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100806988,
  author = {I. Seo and S. Yokota and Y. Imai and Y. Gohda},
  title = {IrO3 Desorbability of Iridium Alloys at High Temperatures from Thermodynamical Perspective},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100806987,
  author = {Y. Ainai and Y. Tatetsu and A. Terasawa and Y. Gohda},
  title = {First-principles study on structures of crystalline Nd-Fe alloys as candidates for grain-boundary phases in Nd-Fe-B sintered magnets},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100820389,
  author = {寺澤麻子 and 合田義弘},
  title = {第一原理計算によるネオジム磁石の主相・粒界相界面の磁気結合解析},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100803365,
  author = {田中 友規 and 合田 義弘},
  title = {磁気モーメントの熱揺らぎを考慮したフォノン自由エネルギーの計算},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100803366,
  author = {濱﨑 恭考 and 合田 義弘},
  title = {密度汎関数理論に基づく強磁性Heusler合金/Co/BaTiO3(001)界面構造における電気磁気結合の評価},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100803362,
  author = {Asako Terasawa and Yoshihiro Gohda},
  title = {Magnetism and structure of amorphous grain boundaries of permanent magnets: First principles study},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100798319,
  author = {Insung Seo and Yoshihiro Gohda},
  title = {First-principles study of IrO3 desorption from iridium surfaces and  temperature dependence},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100786988,
  author = {濱﨑恭考 and 合田 義弘},
  title = {強磁性Heusler合金/BaTiO3(001)界面構造における電気磁気結合の第一原理的評価},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100786966,
  author = {Tomonori Tanaka and Yoshihiro Gohda},
  title = {New spin filtering mechanism through atomic chains without magnetic field: first-principles study},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100787065,
  author = {寺澤 麻子 and 合田 義弘},
  title = {ネオジム磁石のアモルファス粒界相の磁気結合の第一原理計算および解析},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100787885,
  author = {I. Seo and S. Yokota and Y. Imai and Y. Gohda},
  title = {First-principles study of iridium oxide desorption from iridium low-index surfaces at high temperature},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100790664,
  author = {塩沢 知春 and 合田 義弘},
  title = {SmFe12 磁石主相の結晶粒表面に対する第一原理計算},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100786884,
  author = {合田 義弘},
  title = {Nd-Fe-B 磁石の粒界界面構造の電子論による解析},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100786965,
  author = {田中 友規 and 合田 義弘},
  title = {Bi原子吸着したIn原子鎖における新奇1次元Rashba効果の第一原理計算},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100787066,
  author = {寺澤 麻子 and 合田 義弘},
  title = {第一原理計算を用いた永久磁石のアモルファス粒界相および主相-アモルファス相界面の磁性解析},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100786987,
  author = {濱﨑恭考 and 合田 義弘},
  title = {強磁性Heusler合金/BaTiO3(001)界面構造における電気磁気結合の第一原理的評価},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100786883,
  author = {合田 義弘},
  title = {磁性材料の第一原理電子論},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100787059,
  author = {馬場 啓太 and 合田 義弘},
  title = {In/Si(111)√3×√3-B表面の表面構造探索},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100787067,
  author = {寺澤 麻子 and 合田 義弘},
  title = {ネオジム磁石内アモルファス粒界相に対する第一原理シミュレーション},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100786970,
  author = {立津慶幸 and 合田義弘},
  title = {First-principles study on searching for the stable subphase structures in Ga-doped Nd-Fe-B sintered magnets},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100786972,
  author = {立津慶幸 and 原嶋庸介 and 三宅隆 and 合田義弘},
  title = {Role of typical elements in Nd2Fe14X (X = B, C, N, O, F)},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100786964,
  author = {I. Seo and S. Yokota and Y. Imai and Y. Gohda},
  title = {First-principles Study of Ir Desorption from Its Low-index Surfaces},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100787068,
  author = {Asako Terasawa and Yoshihiro Gohda},
  title = {Gabriel Graph Analysis of Amorphous Nd-Fe Alloys and Relationship with Their Magnetism},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100787069,
  author = {寺澤 麻子 and 合田 義弘},
  title = {First-principles structural and magnetic analyses of amorphous Nd-Fe alloys},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100798318,
  author = {田中友規 and 合田義弘},
  title = {Bi原子吸着In原子鎖における新奇1次元Rashba効果の第一原理的研究},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100786962,
  author = {塩沢 知春 and 合田 義弘},
  title = {Nd2Fe14Bの表面構造に対する第一原理計算},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100786963,
  author = {Insung Seo and 横田俊介 and 今井鷹介 and 合田義弘},
  title = {Ir(110)表面における高温酸化過程の第一原理計算},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100787070,
  author = {寺澤 麻子 and 合田 義弘},
  title = {ガブリエルグラフを用いたアモルファスNd-Fe合金の構造特性解析},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100786967,
  author = {Yasutomi Tatetsu and Yoshihiro Gohda},
  title = {Ab-initio study on Ga-added Nd-Fe-B sintered magnets},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100768463,
  author = {Y. Gohda and S. Nakamura},
  title = {First-principles prediction of ferromagnetism in MnB and MnC monolayer films on nonmagnetic transition-metal surfaces},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100787071,
  author = {寺澤 麻子 and 合田 義弘},
  title = {永久磁石アモルファス粒界相の第一原理計算およびグラフ理論を用いた解析手法の提案},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100786971,
  author = {Yasutomi Tatetsu and Yosuke Harashima and Takashi Miyake and Yoshihiro Gohda},
  title = {First-principles study on typical elements in Nd2Fe14X (X = B, C, N, O, F)},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100768464,
  author = {Yoshihiro Gohda},
  title = {Surface-science studies by OpenMX},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100786969,
  author = {Yasutomi Tatetsu and Yoshihiro Gohda},
  title = {Ab-initio simulation of Ga-doped Nd-Fe-B magnets},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100766015,
  author = {Y.Tatetsu and Yoshihiro Gohda},
  title = {Electronic states and magnetic properties around the grain boundary in Nd-Fe-B sintered magnets studied by first-principles calculations},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100767002,
  author = {田中友規 and 合田 義弘},
  title = {第一原理計算による一次元 Rashba 効果を示す新たな表面系の探索},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100767006,
  author = {立津 慶幸 and 合田義弘},
  title = {Ga添加型Nd焼結磁石界面に対する第一原理的研究},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100759252,
  author = {寺澤麻子 and 合田義弘},
  title = {第一原理計算によるネオジム磁石の結晶粒界相のシミュレーション(III)},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100786975,
  author = {相内 優太 and 立津 慶幸 and 合田 義弘},
  title = {Nd-Fe-B焼結磁石の二粒子粒界相に関する第一原理計算},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100787060,
  author = {相内 優太 and 立津 慶幸 and 合田 義弘},
  title = {Nd-Fe-B焼結磁石の二粒子粒界相に関する第一原理計算},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100766009,
  author = {Y. Tatetsu and Yoshihiro Gohda},
  title = {First-Principles Study on the Role of B in Nd2Fe14B},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100760321,
  author = {Tomonori Tanaka and Yoshihiro Gohda},
  title = {First-Principles Prediction of Giant Rashba Splitting in Bismuth-adsorbed Atomic Nanowires},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100760319,
  author = {Kazuhiro Fujita and Yoshihiro Gohda},
  title = {Magnetoelectric Couplings at Fe/BiFeO3(001) Heterointerfaces Studied by First-principles Calculations},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100759450,
  author = {合田義弘},
  title = {磁石材料組織界面における 局所磁気特性の電子論による解明},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100758269,
  author = {Shogo Nakamura and Yoshihiro Gohda},
  title = {Local magnetic anisotropy analysis on manganese boride ultrathin films on transition-metal surfaces studied by first-principles calculations},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100757499,
  author = {Y. Tatetsu and S. Tsuneyuki and Yoshihiro Gohda},
  title = {First-principles study on the magnetic anisotropy around the grain boundaries of Nd-Fe-B magnets},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100757490,
  author = {A. Terasawa and Yoshihiro Gohda},
  title = {First Principles Calculations of Structures and Magnetism of Amorphous Grain Boundary Phases in Nd-Fe-B Sintered Magnets},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100757491,
  author = {A. Terasawa and Yoshihiro Gohda},
  title = {First Principles Calculations of Structures and Magnetism of Amorphous Grain Boundary Phases in Nd-Fe-B Sintered Magnet},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100757497,
  author = {Y. Tatetsu and S. Tsuneyuki and Yoshihiro Gohda},
  title = {First-principles study on the magnetic anisotropy around the grain boundaries of Nd-Fe-B magnets},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100757496,
  author = {Y.Tatetsu and Y.Harashima and T. Miyake and Yoshihiro Gohda},
  title = {First-principles study on the main phase and subphase of Nd-Fe-B sintered magnets},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100757495,
  author = {Y. Tatetsu and Y. Harashima and T.Miyake and Yoshihiro Gohda},
  title = {First-principles study on the main phase and subphase of Nd-Fe-B sintered magnets},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100757489,
  author = {寺澤麻子 and 合田義弘},
  title = {ネオジム磁石内部のアモルファス粒界相に対する第一原理計算},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100750359,
  author = {Y. Tatetsu and S. Tuneyuki and Yoshihiro Gohda},
  title = {First-principles study on the role of Nd6Fe13Ga in Nd-Fe-B magnets},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100757502,
  author = {Shogo Nakamura and Yoshihiro Gohda},
  title = {Prediction of ferromagnetism in MnB and MnC on nonmagnetic transition-metal surfaces studied by first-principles calculations},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100757487,
  author = {A. Terawsawa and Yoshihiro Gohda},
  title = {First-principles calculation of amorphous grain boundary phase in Nd-Fe-B sintered magnet},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100757486,
  author = {Y. Tatetsu and S. Tuneyuki and Yoshihiro Gohda},
  title = {First-Principles Study on the Magnetic Anisotropy of Ga-Added Nd-Fe-B Magnets},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100756759,
  author = {K. Fujita and Yoshihiro Gohda},
  title = {Estimation of the magnetoelectric coefficient at Fe/BiFeO3(001) heterointerfaces studied by first-principles calculations},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100750362,
  author = {藤田一大 and 合田 義弘},
  title = {第一原理計算によるFe/BiFeO3(001)ヘテロ界面における電気磁気結合係数の評価},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100750124,
  author = {Y.Tatetsu and S. Tuneyuki and Yoshihiro Gohda},
  title = {First-Principles Study on the Magnetic Anisotropy of Ga-Added Nd-Fe-B Magnets},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744784,
  author = {藤田一大 and 合田 義弘},
  title = {第一原理計算によるFe/BiFeO3(001)ヘテロ界面における電気磁気結合係数の評価},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744779,
  author = {中村将吾 and 相内優太 and 合田 義弘},
  title = {第一原理計算による磁性界面の局所磁気異方性解析},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744771,
  author = {田中友規 and 合田 義弘},
  title = {In/Si(111)-4×1表面上のBi原子吸着に関する第一原理計算},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744768,
  author = {寺澤 麻子 and 合田 義弘},
  title = {第一原理計算によるネオジム磁石の結晶粒界相のシミュレーション (II)},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744714,
  author = {立津 慶幸 and 常行 真司 and 合田 義弘},
  title = {第一原理計算によるGa添加型Nd-Fe-B磁石の界面磁気異方性解析},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744778,
  author = {中村将吾 and 合田 義弘},
  title = {第一原理計算によるMnX/TM(001)(X=B,C,N, TM=Ag,Cu,Pt,Ir)の表面電子状態の解明},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744849,
  author = {立津 慶幸 and 常行 真司 and 合田 義弘},
  title = {Nd-Fe-B磁石の元素添加効果に関する第一原理計算},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744767,
  author = {寺澤 麻子 and 合田 義弘},
  title = {第一原理計算によるネオジム磁石粒界相の構造及び磁性探索},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744853,
  author = {立津 慶幸 and 常行 真司 and 合田 義弘},
  title = {First-principles study on the effects of subphases in Nd-Fe-B magnets},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744766,
  author = {寺澤 麻子 and 合田 義弘},
  title = {アモルファスNd-Fe合金の磁性に関する第一原理シミュレーション},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744854,
  author = {立津 慶幸 and 常行 真司 and 合田 義弘},
  title = {First-principles study on element-doping effects in Nd-Fe-B sintered magnets},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744715,
  author = {Y. Tatetsu and S. Tsuneyuki and Yoshihiro Gohda},
  title = {First-principles study on element-doping effects in Nd-Fe-B sintered magnets},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744817,
  author = {吉澤 香奈子 and 岩崎 誉志紀 and 合田 義弘 and 常行 真司},
  title = {ルチルTiO2の酸素欠陥と複数の不純物水素},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744783,
  author = {藤田一大 and 合田 義弘},
  title = {第一原理計算によるFe/BiFeO3(001)ヘテロ界面の電子状態の解明},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744776,
  author = {S. Nakamura and Yoshihiro Gohda},
  title = {First-principles study of the electronic structure of single-layer MnX/TM(001) (X=B, N, TM=Cu, Ag) surfaces},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744717,
  author = {Y. Tatetsu and S. Tsuneyuki and Yoshihiro Gohda},
  title = {Ab-initio study of transition-metal-doping effects on magnetic anisotropy in Nd-Fe-B sintered magnets},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744773,
  author = {渡辺 成栄 and 合田 義弘},
  title = {第一原理計算によるBi(110)/Si(111)√3×√3-Bの電子状態の解明},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744765,
  author = {寺澤 麻子 and 合田 義弘},
  title = {第一原理計算によるネオジム磁石の結晶粒界相のシミュレーション},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744716,
  author = {立津 慶幸 and 常行 真司 and 合田 義弘},
  title = {Ga添加型Nd-Fe-Bの第一原理計算},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744820,
  author = {長瀬 謙太郎 and 渡辺 成栄 and 山崎 詩郎 and 合田 義弘 and 中辻 寛 and 平山 博之},
  title = {Si(111)√3×√3-B表面上に形成されるBi(110)超薄膜の電子状態(II)},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100744764,
  author = {寺澤 麻子 and 合田 義弘},
  title = {Nd-Fe-B焼結磁石の結晶粒界におけるアモルファス相に対する第一原理計算},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744718,
  author = {立津 慶幸 and 常行 真司 and 合田 義弘},
  title = {Nd-Fe-B磁石における微量元素添加の効果と界面電子状態},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744757,
  author = {立津 慶幸 and 常行 真司 and 合田 義弘},
  title = {第一原理計算によるNd-Fe-B磁石へのアプローチ},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744799,
  author = {立津 慶幸 and 常行 真司 and 合田 義弘},
  title = {永久磁石の微細構造特性解析と新化合物探索},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744758,
  author = {立津 慶幸 and 常行 真司 and 合田 義弘},
  title = {第一原理計算による微量元素添加型Nd2Fe14Bの磁気異方性解析},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744781,
  author = {藤田一大 and 合田 義弘},
  title = {BiFeO3/強磁性体異相界面の第一原理計算},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744775,
  author = {中村将吾 and 合田 義弘},
  title = {第一原理計算によるMnN/Cu(001)の電子状態の解明},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744622,
  author = {Yoshihiro Gohda},
  title = {Effects of additive elements at Nd-Fe-B microstructure interfaces},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744759,
  author = {Y. Tatetsu and S. Tsuneyuki and Yoshihiro Gohda},
  title = {Ab-initio calculations of magnetic properties in Nd-Fe-B magnets with Cu existing around the interface},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744760,
  author = {Y. Tatetsu and S. Tsuneyuki and Yoshihiro Gohda},
  title = {Theoretical analysis of Cu addition effects in Nd-Fe-B magnets},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744762,
  author = {立津 慶幸 and 常行 真司 and 合田 義弘},
  title = {磁性材料の高性能化－大規模電子状態計算による探索},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744761,
  author = {Y. Tatetsu and S. Tsuneyuki and Yoshihiro Gohda},
  title = {Ab-initio study on transition-metal-doped Nd-Fe-B magnets},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744667,
  author = {Yoshihiro Gohda and Y. Tatetsu and S. Tsuneyuki},
  title = {First-principles study of Cu-doped Nd-Fe-B micrustructure interfaces},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744608,
  author = {戸成 健 and 浜田 翔悟 and 合田 義弘},
  title = {Si(111)√3×√3-B表面におけるBサイト点欠陥効果の第一原理計算},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744605,
  author = {田中友規 and 小林 祥希 and 合田 義弘},
  title = {MnBi表面上ナノ構造の第一原理計算},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744626,
  author = {Yoshihiro Gohda},
  title = {First-principles theory of magnets: microstructure interfaces},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744675,
  author = {Yoshihiro Gohda and H. Misawa and H. Tsuchiura and S. Tsuneyuki},
  title = {First-principles study of interface magnetic properties of Nd-Fe-B magnet microstructures},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100744630,
  author = {Yoshihiro Gohda},
  title = {Electronic-structure calculations for magnetic interfaces},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100744704,
  author = {Yoshihiro Gohda and H. Misawa and H. Tsuchiura and S. Tsuneyuki},
  title = {Interface magnetic anisotropy of Nd-Fe-B magnets},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100744640,
  author = {合田 義弘},
  title = {焼結磁石の材料組織界面における構造と電子状態},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100744710,
  author = {Yoshihiro Gohda and H. Misawa and H. Tsuchiura and S. Tsuneyuki},
  title = {Magnetism of interfaces between Nd2Fe14B and NdOx examined by first-principles calculations},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100744638,
  author = {Yoshihiro Gohda},
  title = {First-principles study of microstructure interfaces of Nd-Fe-B magnets},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100744639,
  author = {Yoshihiro Gohda},
  title = {Microstructure of Fe-based magnetic materials},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100744641,
  author = {合田 義弘},
  title = {磁石材料の微細構造界面特性解析と新化合物探索},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100744679,
  author = {Yoshihiro Gohda and Z. Torbatian and T. Ozaki and S. Tsuneyuki},
  title = {Magnetic anisotropy modified by strain effects in Y2Fe14B},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100744683,
  author = {Yoshihiro Gohda and Z. Torbatian and T. Ozaki and S. Tsuneyuki},
  title = {Magnetic anisotropy induced by itinerant electrons in Y2Fe14B},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100744688,
  author = {Yoshihiro Gohda and Z. Torbatian and T. Ozaki and S. Tsuneyuki},
  title = {First-principles calculations of magnetic anisotropy due to itinerant electrons},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100744692,
  author = {Yoshihiro Gohda and Z. Torbatian and T. Ozaki and S. Tsuneyuki},
  title = {Strain effects on the magnetic anisotropy of Y2Fe14B},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100744643,
  author = {合田 義弘},
  title = {磁石材料微細構造最適化に向けて − SPring-8との連携},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100744645,
  author = {合田 義弘},
  title = {磁性材料と OpenMX},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100744647,
  author = {合田 義弘},
  title = {第一原理計算による表面・界面磁性},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100744642,
  author = {Yoshihiro Gohda},
  title = {First-principles theory on magnetism at interfaces},
  booktitle = {},
  year = 2014,
}

@misc{CTT100759814,
  author = {Yoshihiro Gohda and Tatetsu Yasutomi and S. Tsuneyuki},
  title = {Electron Theory on Grain-Boundary Structures and Local Magnetic Properties of Neodymium Magnets},
  year = 2018,
}

@misc{CTT100744612,
  author = {合田 義弘 and 立津 慶幸 and 常行 真司},
  title = {ネオジム磁石の粒界構造と局所磁性の電子論},
  year = 2017,
}

@misc{CTT100744614,
  author = {合田 義弘},
  title = {ネオジム磁石の材料組織に関する第一原理計算},
  year = 2016,
}

@misc{CTT100744529,
  author = {Yoshihiro Gohda},
  title = {Property prediction and design of materials by first-principles simulations},
  year = 2015,
}

@misc{CTT100744618,
  author = {合田 義弘 and 押山 淳 and 常行 真司},
  title = {磁性元素が関与しない磁性？界面・点欠陥の役割を予測},
  year = 2011,
}

@misc{CTT100669487,
  author = {Yoshihiro Gohda},
  title = {Ab initio method for electron transport and its applications to field emission from nanostructures},
  year = 2003,
}



@phdthesis{CTT100669487,
  author = {Yoshihiro Gohda},
  title = {Ab initio method for electron transport and its applications to field emission from nanostructures},
  school = {東京大学},
  year = 2003,
}