"Amran Yatmeidhy,Yoshihiro Gohda","Strain-dependent Magnetic Anisotropy in Heusler Alloys Induced by Orbital and Quadrupole Moments","TMS 2024 Annual Meeting",,,,,,2024,Mar. "橋本宏太,田中友規,合田義弘","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","日本物理学会 2024年春季大会",,,,,,2024,Mar. "田中友規,合田 義弘","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","日本物理学会2024年春季大会",,,,,,2024,Mar. "橋本宏太,田中友規,合田義弘","TiおよびTi基合金の自己無撞着フォノン計算","日本金属学会 2024年春季講演大会",,,,,,2024,Mar. "Manabu Watanabe,高木康多,Tomonori Tanaka,Yoshihiro Gohda,Masayoshi Adachi,Masahito Uchikoshi,Tetsuya Nakamura,Masaki Takata,HIROYUKI FUKUYAMA","Clarification of origin of positive excess volume of Pd?Fe binary alloys by using first-principles calculations and HAXPES",,"Acta Materialia",,"Vol. 267",,,2024,Jan. "橋本宏太,合田義弘","bcc および hcp Ti の自己無撞着フォノン計算","第33回 日本MRS年次大会",,,,,,2023,Nov. "丸尾優太,中島広豊,竹山雅夫,合田義弘","クラスター展開を用いたTi-Al-Nb合金の評価","日本金属学会 2023年秋期大会","日本金属学会 2023年度秋期講演大会講演概要集","公益社団法人 日本金属学会",,,,2023,Sept. "U. Shibata,Kota Hashimoto,H. Nakashima,M. Takeyama,Y. Gohda","First-principles study of transition-metal β stabilizers in Ti-Al-O","7th International Workshop on Titanium Aluminides (IWTA2023)",,,,,,2023,June "Ruona Tang,Hirotoyo Nakashima,Yoshihiro Gohda,Masao Takeyama","Phase Equilibria Between α-Ti/α2-Ti3Al Phases near 1473 K in TiAl Alloys Containing Oxygen","7th International Workshop on Tianium Aluminides",,,,,,2023,June "Satoru Enomoto,Sonju Kou,Taichi Abe,Yoshihiro Gohda","Subphase exploration for SmFe12-based permanent magnets by Gibbs energies obtained with first-principles cluster-expansion method",,"Journal of Alloys and Compounds",,"Vol. 950",,,2023,Apr. "Amran Mahfudh Yatmeidhy,Yoshihiro Gohda","The origin of magnetoelectric effect in BaTiO3-based multiferroic heterostructures considering the lattice domain modification","日本金属学会 2023年春期大会",,,,,,2023,Mar. "竹村晃一,片野達貴,河添理央,Insung Seo,飯盛拓嗣,小森文夫,小澤健一,間瀬一彦,合田義弘,平山博之,中辻寛","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","日本物理学会2023年春季大会",,,,,,2023,Mar. "Soma Nishino,Yoshihiro Gohda","Structures of Sm-Cu intermetallics with Fe as subphase candidates in SmFe12-based permanent magnets studied by first-principles thermodynamics",,"Japanese Journal of Applied Physics",,"Vol. 62","No. 3",,2023,Mar. "Shunsuke Tsuna,Yoshihiro Gohda","First-principles phonon calculations of neodymium-magnet compounds",,"Journal of Applied Physics",,"Vol. 133","No. 11",,2023,Mar. "綱駿介,合田義弘","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","日本金属学会 2023年春期大会",,,,,,2023,Mar. "綱 駿介,合田 義弘","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","日本物理学会2023年春季大会",,,,,,2023,Mar. "Hanif Yuandi Widyandaru,Gohda Yoshihiro","First-principles calculations of magnetoelectric effects induced by phase transitions in GeSe/Ni/GeSe thin film","Symposium of the Spintronics Research Network of Japan Spin-RNJ",,,,,,2023,Mar. "西野 颯馬,合田 善弘","SmFe12基新磁石材料の副相候補Sm-Cu-Feの安定構造評価","日本金属学会2023年春期第172回講演大会",,,,,,2023,Mar. "合田 義弘,柴田 右京,中島 広豊,竹山 雅夫","Ti-Al-O 合金における β 安定化元素の第一原理電子論","日本金属学会2023年春季講演大会",,,,,,2023,Mar. "榎本 悟,高成柱,阿部太一,合田義弘","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","日本物理学会2023年春季大会",,,,,,2023,Mar. "榎本悟,高 成柱,阿部太一,合田義弘","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","日本金属学会2023年春期講演大会",,,,,,2023,Mar. "Hanif Yuandi Widyandaru,Yoshihiro Gohda","First-principles Calculations of Ni/GeSe Interfaces with Antiferroelectric and Ferroelectric Polarizations","2023 Spring Meeting of the Physical Society of Japan",,,,,,2023,Mar. "渡會亮太,Amran Mahfudh Yatmeidhy,合田義弘","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","日本物理学会 2023年春季大会",,,,,,2023,Mar. "渡會亮太,Amran Mahfudh Yatmeidhy,合田義弘","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","日本金属学会 2023年春期第172回講演大会",,,,,,2023,Mar. "Amran Mahfudh Yatmeidhy,Yoshihiro Gohda","Effect of lattice domain shape on the magnetic anisotropy of Co2FeSi/BaTiO3 (001)","日本物理学会2023年春季大会",,,,,,2023,Mar. "Amran Mahfudh Yatmeidhy,Yoshihiro Gohda","First-principles study of magnetoelectric properties enhanced by lattice-domain modifications","APS March Meeting 2023",,,,,,2023,Mar. "合田義弘,Rafael Costa-Amaral","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",,"表面と真空",,"Vol. 66",,"p. 22",2023,Jan. "Shunsuke Tsuna,Rafael Costa-Amaral,Yoshihiro Gohda","Origin of anisotropic magnetoresistance tunable with electric field in Co2FeSi/BaTiO3 multiferroic interfaces",,"J. Appl. Phys.",," 132",," 234101",2022,Dec. "Insung Seo,Kan Nakatsuji,Hiroyuki Hirayama,Yoshihiro Gohda","Electronic structure and interactions of In thin film on Si(111)√3×√3-B","14th International Symposium on Atomic Level Characterizations for New Materials and Devices '22",,,,,,2022,Oct. "Insung Seo,Kan Nakatsuji,Hiroyuki Hirayama,Yoshihiro Gohda","Interfacial Structures of In Double Layers on Si(111)√3×√3-B Substrates","The 22nd International Vacuum Congress",,,,,,2022,Sept. "T. Ogino,I. Seo,H. Tajiri,M. Nakatake,S. Takakura,Y. Sato,Y. Hasegawa,Y. Gohda,K. Nakatsuji,H. Hirayama","Intrinsic superconductivity of two monolayer thick Indium film","The 22nd International Vacuum Congress",,,,,,2022,Sept. "Insung Seo,Kan Nakatsuji,Hiroyuki Hirayama,Yoshihiro Gohda","Electronic structure of In ultrathin films adsorbed on Si(111)√3×√3-B surfaces","European Conference on Surface Science 35",,,,,,2022,Aug. "Ogino, T.,Insung Seo,Tajiri, H.,Nakatake, M.,Takakura, S.-I.,Sato, Y.,Hasegawa, Y.,Yoshihiro Gohda,Kan Nakatsuji,HIROYUKI HIRAYAMA","Superconductivity in a two monolayer thick indium film on Si(111) 3 × 3 -B",,"Physical Review B",,"Vol. 106","No. 4",,2022,July "Amran Mahfudh Yatmeidhy,Rafael Costa-Amaral,Yoshihiro Gohda","Magnetic Anisotropy Modulation at Co2FeSi/BaTiO3 Interfaces : a First-principles Study","24th International Colloquium on Magnetic Films and Surfaces",,,,,,2022,July "S. Tsuna,R. Costa-Amaral,Y. Gohda","Electric field dependence of anisotropic magnetoresistance in Co2FeSi/BaTiO3 multiferroic interfaces","24th International Colloquium on Magnetic Films and Surfaces",,,,,,2022,July "Fujii, S.,Usami, T.,Shiratsuchi, Y.,Kerrigan, A.M.,Amran Mahfudh Yatmeidhy,Yamada, S.,Kanashima, T.,Nakatani, R.,Lazarov, V.K.,Oguchi, T.,Yoshihiro Gohda,Hamaya, K.","Giant converse magnetoelectric effect in a multiferroic heterostructure with polycrystalline Co2FeSi",,"NPG Asia Materials",,"Vol. 14","No. 1",,2022,May "Insung Seo,Kan Nakatsuji,Hiroyuki Hirayama,Yoshihiro Gohda","Structural and Electronic Properties of In Double Layers on Si(111)√3×√3-B","The 2022 MRS Spring Meeting",,,,,,2022,May "中島 広豊,樫本 貴之,合田 義弘,竹山 雅夫","第一原理計算を援用した Ti-Al-O 三元系状態図の計算","日本金属学会 2022 年春期(第 170 回)講演大会","令和 4 年 3 月 1 日発行「まてりあ」Vol.61 No.3 付録","日本金属学会",,,"p. 31",2022,Mar. "樫本 貴之,中島 広豊,竹山 雅夫,合田 義弘","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","日本金属学会 2022 年春期(第 170 回)講演大会","令和 4 年 3 月 1 日発行「まてりあ」Vol.61 No.3 付録",,,,"p. 31",2022,Mar. "Amran Mahfudh Yatmeidhy,Rafael Costa-Amaral,Yoshihiro Gohda","First-principles study of the magnetic anisotropy at Co2FeSi/BaTiO3 interfaces","日本物理学会第77回年次大会",,,,,,2022,Mar. "Chen Yu-An,Manabu Watanabe,Yoshihiro Gohda,Yoshisato Kimura,Yaw-Wang Chai","Evaluation of N-P type conversion mechanism in thermoelectric Zr(Ni, X)Sn (X= Ir, Co) by first- principles calculation","日本金属学会 2022年 春期(第170回)講演大会",,,,,,2022,Mar. "合田義弘","磁性材料の第一原理電子論と磁気特性の解析",,"次世代 EV/HEV 用モータの高出力化と関連材料の開発","技術情報協会",,,"p. 578",2022,Jan. "合田 義弘","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",,"粉体および粉末冶金",,"Vol. 69",,"p. S109",2022,Jan. "Shunsuke Tsuna,Rafael Costa-Amaral,Yoshihiro Gohda","Origin of the anisotropic magnetoresistance effect tunable with electric field in Co2FeSi/BaTiO3 interfacial multiferroic system","Materials Research Meeting (MRM) 2021",,,,,,2021,Dec. "I. Seo,K. Nakatsuji,H. Hirayama,Y. Gohda","First-principles study of In double layers on Si(111) √3 × √3 -B substrates","The 9th International Symposium on Surface Science",,,,,,2021,Dec. "Y. Gohda,R. Costa-Amaral,A. M. Yatmeidhy","Multiferroic interfaces studied by first-principles electron theory","The 9th International Symposium on Surface Science",,,,,,2021,Nov. "Yoshihiro Gohda","Multiscale analyses of interfaces and phase equilibria in magnetic materials","日本物理学会2021年秋季大会",,,,,,2021,Sept. "R. Costa-Amaral,Yoshihiro Gohda","Role of Ferroelectricity, Delocalization, and Occupancy of d States in the Electrical Control of Interface-Induced Magnetization",,"Physical Review Applied",,"Vol. 15","No. 6",,2021,June "Tomonori Tanaka,Yoshihiro Gohda","Magnetism-dependent phonons and its effect on magnetic phase transition from first principles","APS March Meeting 2021",,,,,,2021,Mar. "Amran Mahfudh Yatmeidhy,Rafael Costa-Amaral,Yoshihiro Gohda","First-principles calculation of (Ni/Cu)PMN-PT(001) heterostructure","日本物理学会 第76回年次大会 (2021年)",,,,,,2021,Mar. "高 成柱,合田 義弘","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","日本金属学会第168回講演大会(2021年春季)",,,,,,2021,Mar. "田中 友規,合田 義弘","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","日本物理学会 第76回年次大会(2021年)",,,,,,2021,Mar. "手島 涼,横田 俊介,今井 庸介,合田 義弘","第一原理計算によるIr合金の力学特性評価2","日本金属学会2021年春季講演大会",,,,,,2021,Mar. "Rafael Costa-Amaral,Yoshihiro Gohda","Tuning the magnetoelectric effect via metal substitution at ferromagnetic/ferroelectric interfaces","日本物理学会 第76回年年次大会(2021年)",,,,,,2021,Mar. "田中 友規,合田 義弘","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","PCoMSシンポジウム&計算物質科学スーパーコンピュータ共用事業報告会",,,,,,2021,Feb. "Yoshihiro Gohda","First-principles determination of intergranular atomic arrangements and magnetic properties in rare-earth permanent magnets",,"Science and Technology of Advanced Materials",,"Vol. 22","No. 1","pp. 113-123",2021,Feb. "Tomonori Tanaka,Yoshihiro Gohda","Prediction of the Curie temperature considering the dependence of the phonon free energy on magnetic states",,"npj Computational Materials",,"Vol. 6",," 184",2020,Dec. "K. Sugawara,I. Seo,S. Yamazaki,K. Nakatsuji,Y. Gohda,H. Hirayama","Effective quantum-well width of confined electrons in ultrathin Ag(111) films on Si(111)7x7 substrates",,"Surface Science",,"Vol. 704",,"p. 121745 (6 pages)",2020,Oct. "合田 義弘","磁石材料組織の第一原理電子論による検討","第10回材料系ワークショップ",,,,,,2020,Oct. "Amran Mahfudh Yatmeidhy,Yoshihiro Gohda","First-principles Calculation of Pb(Mg1/3Nb2/3)O3-PbTiO3 (PMN-PT):A Study of Atomic Arrangement Models.","日本物理学会2020年秋季大会",,,,,,2020,Sept. "Tomonori Takana,Yoshihiro Gohda","First-principles study of magnetism-dependent phonons governed by exchange ligand field",,"J. Phys. Soc. Jpn.",," 89",," 093705",2020,Aug. "I. Seo,S. Yokota,Y. Imai,Y. Gohda","First-principles Calculations on High-temperature Desorption Loss from Iridium",,"Comput. Mater. Sci.",," 184",," 109897",2020,July "Y. Ainai,S. Kou,Y. Tatetsu,Y. Gohda","First-principles study on magnetism of a crystalline grain-boundary phase in Nd?Fe?B permanent magnets",,"Jpn. J. Appl. Phys.",," 59",," 060904",2020,June "R. Costa-Amaral,Y. Gohda","First-principles study of the adsorption of 3d transition metals on BaO- and TiO2-terminated cubic-phase BaTiO3(001) surfaces",,"J. Chem. Phys.",," 152",," 204701",2020,May "中津 大輔,合田 義弘","TiAl合金における添加元素の影響","日本金属学会 2020年春期(第166回)講演大会",,,,,,2020,Mar. "Insung Seo,横田俊介,今井庸介,合田義弘","イリジウムとその合金における表面脱離消耗の評価","日本物理学会 第75回年次大会",,,,,,2020,Mar. "馬場啓太,合田義弘","合金吸着Si(111)-B表面の電子状態","日本物理学会 第75回年次大会",,,,,,2020,Mar. "田中友規,合田義弘","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","日本物理学会 第75回年次大会",,,,,,2020,Mar. "濱崎恭考,合田義弘","Co2FeSi/BaTiO3界面における磁気的性質の解析","日本物理学会 第75回年次大会",,,,,,2020,Mar. "Amran Mahfudh Yatmeidhy,Yoshihiro Gohda","First-principles calculation of ferroelectric material: PbTiO3 study","日本物理学会 第75回年次大会",,,,,,2020,Mar. "Tomonori Tanaka,Y. Gohda","The shift of the Curie temperature in bcc-Fe by phonon softening: first-principles phonon and Monte Carlo calculations","APS March Meeting 2020",,,,,,2020,Mar. "Yasunari Hamazaki,Yoshihiro Gohda","Enhancement of magnetoelectric coupling by insertion of Co atomic layer into Fe3Si/BaTiO3(001) interfaces identified by first-principles calculations","APS March Meeting 2020",,,,,,2020,Mar. "寺澤 麻子,相内 優太,尾崎 泰助,合田 義弘","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","日本金属学会 2020年春期(第166回)講演大会",,,,,,2020,Mar. "手島 涼,横田 俊介,今井 庸介,合田 義弘","第一原理計算によるIr合金の力学特性評価","日本金属学会 2020年春期(第166回)講演大会",,,,,,2020,Mar. "相内 優太,立津 慶幸,寺澤 麻子,合田 義弘","第一原理計算によるNd-Fe合金の構造同定","日本金属学会 2020年春期(第166回)講演大会",,,,,,2020,Mar. "塩沢 知春,相内 優太,立津 慶幸,合田 義弘","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","日本金属学会 2020年春期(第166回)講演大会",,,,,,2020,Mar. "高 成柱,阿部 太一,合田 義弘","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","日本金属学会 2020年春期(第166回)講演大会",,,,,,2020,Mar. "Yuta Ainai,Tomoharu Shiozawa,Yasutomi Tatetsu,Yoshihiro Gohda","First-principles study on surface stability and interface magnetic properties of SmFe12",,"Applied Physics Express","IOP Publishing","Volume 13","Number 4"," 045502",2020,Mar. "Insung Seo,Shunsuke Yokota,Yousuke Imai,Yoshihiro Gohda","First-principles calculations on IrO3 desorbability at high temperatures","ACS Spring 2020 National Meeting",,,,,,2020,Mar. "Yuta Ainai,Y. Tatetsu,A. Terasawa,Y. Gohda","First-principles Study on Crystalline Nd-Fe alloys as Candidate Structures for Grain-Boundaries in Nd-Fe-B Sintered Magnets","APS March Meeting 2020",,,,,,2020,Mar. "Tomoharu Shiozawa,Yuta Ainai,Y. Tatetsu,Y. Gohda","First-principles calculations on the surfaces and interfaces of SmFe12","APS March Meeting 2020",,,,,,2020,Mar. "寺澤麻子,塩沢知春,相内優太,尾崎泰助,合田義弘","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","材料系ワークショップ",,,,,,2020,Feb. "田中 友規,合田 義弘","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","材料系ワークショップ",,,,,,2020,Feb. "高 成柱,阿部 太一,合田 義弘","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","材料系ワークショップ",,,,,,2020,Feb. "A. Terasawa,Y. Gohda","DFT calculation of exchange coupling constants using localized basis sets and its application to permanent magnet materials","ポスト「京」重点課題(7)サブ課題D研究会",,,,,,2020,Jan. "田中 友規,合田 義弘","フォノンと磁性の相関","ポスト「京」重点課題(7)サブ課題D研究会",,,,,,2020,Jan. "合田 義弘","磁石材料における界面・粒界の電子論","ポスト「京」重点課題(7)サブ課題D研究会",,,,,,2020,Jan. "Yuta Ainai,Yasutomi Tatetsu,Asako Terasawa,Yoshihiro Gohda","First-principles study of crystalline Nd-Fe alloys",,"Applied Physics Express","IOP Publishing","Volume 13","Number 1"," 017006",2020,Jan. "A. Terasawa,T. Shiozawa,Y. Gohda","First-principles study of interface magnetism in materials structures of Nd-Fe-B sintered magnets","Materials Research Meeting 2019",,,,,,2019,Dec. "R. Costa-Amaral,Y. Gohda","Using DFT to Investigate the Magnetoelectric Coupling at Fe3Si/Tm/BaTiO3 (001) (TM = Sc to Cd) Interfaces","横浜国立大学 物工談話会",,,,,,2019,Dec. "合田 義弘","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","横浜国立大学 物工談話会",,,,,,2019,Dec. "Sonju KOU,Taichi ABE,Yoshihiro GOHDA","Theoretical Sm-Fe-Cu ternary phase diagram for subphase-exploration of SmFe12permanent magnets","Materials Research Meeting 2019",,,,,,2019,Dec. "Yuta Ainai,Y. Gohda","First-principles study of magnetic properties of Nd-Fe alloys in Nd-Fe-B magnets","Materials Research Meeting 2019",,,,,,2019,Dec. "I. Seo,S. Yokota,Y. Imai,Y. Gohda","Forecasting of IrO3 Desorbability from Iridium Alloys by First-principles Study","Materials Research Meeting 2019",,,,,,2019,Dec. "Yasunari Hamazaki,Yoshihiro Gohda","Enhancement of magnetoelectric coupling by insertion of Co atomic layer into Fe3Si/BaTiO3(001) interfaces identified by first-principles calculations",,"J. Appl. Phys.",," 126",," 233902",2019,Dec. "I. Seo,S. Yokota,Y. Imai,Y. Gohda","IrO3 Desorbability of Iridium Alloys at High Temperatures from Thermodynamical Perspective","ASIAN-22",,,,,,2019,Oct. "Rafael Costa-Amaral,Yoshihiro Gohda","A First Principles Study of Magnetoelectric Coupling at Fe 3 Si/TM/BaTiO 3 (001) (TM = Sc to Cd) Interfaces","計算物質科学人材育成コンソーシアム(PCoMS)シンポジウム &計算物質科学スーパーコンピュータ事業報告会 2019",,,,,,2019,Oct. "Y. Ainai,Y. Tatetsu,A. Terasawa,Y. Gohda","First-principles study on structures of crystalline Nd-Fe alloys as candidates for grain-boundary phases in Nd-Fe-B sintered magnets","ASIAN-22",,,,,,2019,Oct. "K. Kudo,Y. Hamazaki,S. Yamada,S. Abo,Y. Gohda,K. Hamaya","Great Differences between Low-Temperature Grown Co2FeSi and Co2MnSi Films on Single-Crystalline Oxides",,"ACS Appl. Electron. Mater.",," 1",," 2371",2019,Oct. "Asako Terasawa,Munehisa Matsumoto,Taisuke Ozaki,Yoshihiro Gohda","Efficient Algorithm Based on Liechtenstein Method for Computing Exchange Coupling Constants Using Localized Basis Set",,"J. Phys. Soc. Jpn.",," 88",," 114706",2019,Oct. "R. Teshima,S. Yokota,Y. Imai,Y. Gohda","Evaluation of solid-solution strengthening of alloys","ASIAN-22",,,,,,2019,Oct. "田中 友規,合田 義弘","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","日本金属学会2019年秋季講演大会",,,,,,2019,Sept. "濱? 恭考,合田 義弘","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","日本金属学会2019年秋季講演大会",,,,,,2019,Sept. "寺澤麻子,合田義弘","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","日本物理学会2019年秋季大会",,,,,,2019,Sept. "Asako Terasawa,Yoshihiro Gohda","Magnetism and structure of amorphous grain boundaries of permanent magnets: First principles study","JEMS2019",,,,,,2019,Aug. "Insung Seo,Yoshihiro Gohda","First-principles study of IrO3 desorption from iridium surfaces and temperature dependence","Nano Korea 2019",,,,,,2019,July "濱?恭考,合田 義弘","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","日本物理学会第74回年次大会",,,,,,2019,Mar. "Tomonori Tanaka,Yoshihiro Gohda","New spin filtering mechanism through atomic chains without magnetic field: first-principles study","APS March Meeting 2019",,,,,,2019,Mar. "寺澤 麻子,合田 義弘","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","第74回日本物理学会年次大会",,,,,,2019,Mar. "I. Seo,S. Yokota,Y. Imai,Y. Gohda","First-principles study of iridium oxide desorption from iridium low-index surfaces at high temperature","APS March Meeting 2019",,,,,,2019,Mar. "塩沢 知春,合田 義弘","SmFe12 磁石主相の結晶粒表面に対する第一原理計算","日本金属学会2019年春季大会",,,,,,2019,Mar. "Kazuhiro Fujita,Yoshihiro Gohda","First-principles study of magnetoelectric coupling at Fe/BiFeO3 (001) interfaces",,"Phys. Rev. Appl.",," 11",," 024006",2019,Feb. "合田 義弘","第一原理計算による永久磁石材料の局所磁性",,"「次世代永久磁石の開発最前線」","NTS",,,,2019,Feb. "合田 義弘","Nd-Fe-B 磁石の粒界界面構造の電子論による解析","NIMS 磁石パートナーシップ第 1 回 磁石研究会",,,,,,2019,Jan. "濱?恭考,合田 義弘","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","第4回CDMSIシンポジウム",,,,,,2018,Dec. "Tomonori Tanaka,Yoshihiro Gohda","First-principles prediction of one-dimensional giant Rashba splittings in Bi-adsorbed In atomic chains",,"Physical Review B","American Physical Society"," 98"," Issue 24"," 241409(R)",2018,Dec. "合田 義弘","磁性材料の第一原理電子論","第28回日本MRS年次大会",,,,,,2018,Dec. "田中 友規,合田 義弘","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","第28回日本MRS年次大会",,,,,,2018,Dec. "馬場 啓太,合田 義弘","In/Si(111)√3×√3-B表面の表面構造探索","第28回日本MRS年次大会",,,,,,2018,Dec. "寺澤 麻子,合田 義弘","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ひ?主相-アモルファス相界面の磁性解析","第4回CDMSIシンポジウム",,,,,,2018,Dec. "Y. Tatetsu,S. Tsuneyuki,Y. Gohda","First-principles study on substitution effects in Nd2(Fe, X)14B",,"Mater.",," 4",," 388",2018,Nov. "寺澤 麻子,合田 義弘","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","2018年日本表面真空学会学術講演会",,,,,,2018,Nov. "S. Nakashima,T. Miyamachi,Y. Tatetsu,Y. Takahashi,Y. Takagi,Y. Gohda,T. Yokoyama,F .Komori","Dynamic Interface Formation in Magnetic Thin Film Heterostructures",,"Adv. Funct. Mater.",," 29",," 1804594",2018,Nov. "立津慶幸,原嶋庸介,三宅隆,合田義弘","Role of typical elements in Nd2Fe14X (X = B, C, N, O, F)","NIMS Week2018",,,,,,2018,Oct. "I. Seo,S. Yokota,Y. Imai,Y. Gohda","First-principles Study of Ir Desorption from Its Low-index Surfaces","The 21st Asian Workshop on First-principles Electronic Structure Calculations",,,,,,2018,Oct. "寺澤 麻子,合田 義弘","First-principles structural and magnetic analyses of amorphous Nd-Fe alloys","NIMS WEEK 2018",,,,,,2018,Oct. "Asako Terasawa,Yoshihiro Gohda","Gabriel Graph Analysis of Amorphous Nd-Fe Alloys and Relationship with Their Magnetism","ACSIN-14 & ICSPM26",,,,,,2018,Oct. "A. Terasawa,Y. Gohda","Hidden order in amorphous structures: Extraction of nearest neighbor networks of amorphous Nd-Fe alloys with Gabriel graph analyses",,"J. Chem. Phys.",," 149",," 154502",2018,Oct. "立津慶幸,合田義弘","First-principles study on searching for the stable subphase structures in Ga-doped Nd-Fe-B sintered magnets","NIMS Week2018",,,,,,2018,Oct. "寺澤 麻子,合田 義弘","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","2018年日本物理学会秋季大会",,,,,,2018,Sept. "Insung Seo,横田俊介,今井鷹介,合田義弘","Ir(110)表面における高温酸化過程の第一原理計算","日本物理学会2018年秋季大会",,,,,,2018,Sept. "塩沢 知春,合田 義弘","Nd2Fe14Bの表面構造に対する第一原理計算","日本物理学会2018年秋季大会",,,,,,2018,Sept. "田中友規,合田義弘","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","日本物理学会2018年秋季大会",,,,,,2018,Sept. "Y. Gohda,S. Nakamura","First-principles prediction of ferromagnetism in MnB and MnC monolayer films on nonmagnetic transition-metal surfaces","ECOSS 34",,,,,,2018,Aug. "Yasutomi Tatetsu,Yoshihiro Gohda","Ab-initio study on Ga-added Nd-Fe-B sintered magnets","REPM2018",,,,,,2018,Aug. "Yoshihiro Gohda","Surface-science studies by OpenMX","The 3rd OpenMX developer's meeting",,,,,,2018,July "Y. Tatetsu,Y. Harashima,T. Miyake,Y. Gohda","Role of typical elements in Nd2Fe14X (X=B, C, N, O, F)",,"Phys. Rev. Mater.",," 2",," 074410",2018,July "寺澤 麻子,合田 義弘","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","第3回CDMSI研究会",,,,,,2018,July "Yasutomi Tatetsu,Yosuke Harashima,Takashi Miyake,Yoshihiro Gohda","First-principles study on typical elements in Nd2Fe14X (X = B, C, N, O, F)","ICM2018",,,,,,2018,July "Yasutomi Tatetsu,Yoshihiro Gohda","Ab-initio simulation of Ga-doped Nd-Fe-B magnets","IcAUMS 2018",,,,,,2018,June "N. Tsuji,Yoshihiro Gohda,et al.","Temperature dependence of the crystal structures and phase fractions of secondary phases in a Nd-Fe-B sintered magnet",,"Acta Mater.",," 154",," 25",2018,May "Y.Tatetsu,Yoshihiro Gohda","Electronic states and magnetic properties around the grain boundary in Nd-Fe-B sintered magnets studied by first-principles calculations","Intermag 2018",,,,,,2018,Apr. "田中友規,合田 義弘","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","物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の今と未来」",,,,,,2018,Apr. "立津 慶幸,合田義弘","Ga添加型Nd焼結磁石界面に対する第一原理的研究","物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の今と未来」",,,,,,2018,Apr. "寺澤麻子,合田義弘","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)","日本物理学会第73回年次大会",,,,,,2018,Mar. "相内 優太,立津 慶幸,合田 義弘","Nd-Fe-B焼結磁石の二粒子粒界相に関する第一原理計算","日本金属学会2018年春期(第162回)講演大会",,,,,,2018,Mar. "Y. Tatetsu,S. Tsuneyuki,Yoshihiro Gohda","First-principles study on the magnetic anisotropy around the grain boundaries of Nd-Fe-B magnets","TMS2018",,,,,,2018,Mar. "Y. Tatetsu,Yoshihiro Gohda","First-Principles Study on the Role of B in Nd2Fe14B","APS March meeting 2018",,,,,,2018,Mar. "Tomonori Tanaka,Yoshihiro Gohda","First-Principles Prediction of Giant Rashba Splitting in Bismuth-adsorbed Atomic Nanowires","APS March Meeting 2018",,,,,,2018,Mar. "Kazuhiro Fujita,Yoshihiro Gohda","Magnetoelectric Couplings at Fe/BiFeO3(001) Heterointerfaces Studied by First-principles Calculations","APS March Meeting 2018",,,,,,2018,Mar. "相内 優太,立津 慶幸,合田 義弘","Nd-Fe-B焼結磁石の二粒子粒界相に関する第一原理計算","第65回応用物理学会春季学術講演会",,,,,,2018,Mar. "合田義弘","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","日本金属学会2018年春期(第162回)講演大会",,,,,,2018,Mar. "Shogo Nakamura,Yoshihiro Gohda","Local magnetic anisotropy analysis on manganese boride ultrathin films on transition-metal surfaces studied by first-principles calculations","APS March Meeting 2018",,,,,,2018,Mar. "Yoshihiro Gohda,Tatetsu Yasutomi,S. Tsuneyuki","Electron Theory on Grain-Boundary Structures and Local Magnetic Properties of Neodymium Magnets",,"Mater. Trans.",," 59",," 332",2018,Feb. "A. Terasawa,Yoshihiro Gohda","First Principles Calculations of Structures and Magnetism of Amorphous Grain Boundary Phases in Nd-Fe-B Sintered Magnet","第三回CDMSI成果報告会",,,,,,2017,Dec. "Shogo Nakamura,Yoshihiro Gohda","Prediction of ferromagnetism in MnB and MnC on nonmagnetic transition-metal surfaces studied by first-principles calculations",,"Phys. Rev. B",," 96",," 245416",2017,Dec. "A. Terasawa,Yoshihiro Gohda","First Principles Calculations of Structures and Magnetism of Amorphous Grain Boundary Phases in Nd-Fe-B Sintered Magnets","第12回ESICMM成果報告会",,,,,,2017,Dec. "Y. Tatetsu,S. Tsuneyuki,Yoshihiro Gohda","First-principles study on the magnetic anisotropy around the grain boundaries of Nd-Fe-B magnets","INTERNATIONAL SYMPOSIUM ON ADVANCED MAGNETIC MATERIALS AND APPLICATIONS",,,,,,2017,Dec. "Y.Tatetsu,Y.Harashima,T. Miyake,Yoshihiro Gohda","First-principles study on the main phase and subphase of Nd-Fe-B sintered magnets","第3回CDMSI(ポスト「京」重点課題(7))シンポジウム ?次世代の産業を支える新機能デバイス・高性能材料の創成? ? CDMSI",,,,,,2017,Dec. "Y. Tatetsu,Y. Harashima,T.Miyake,Yoshihiro Gohda","First-principles study on the main phase and subphase of Nd-Fe-B sintered magnets","第12回磁性材料研究拠点成果報告会",,,,,,2017,Dec. "Y. Tatetsu,S. Tuneyuki,Yoshihiro Gohda","First-principles study on the role of Nd6Fe13Ga in Nd-Fe-B magnets","MMM2017",,,,,,2017,Nov. "寺澤麻子,合田義弘","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","PCoMSシンポジウム&計算物質科学スパコン共用業報告会2017",,,,,,2017,Nov. "Shogo Nakamura,Yoshihiro Gohda","Prediction of ferromagnetism in MnB and MnC on nonmagnetic transition-metal surfaces studied by first-principles calculations","ISSS-8",,,,,,2017,Oct. "A. Terawsawa,Yoshihiro Gohda","First-principles calculation of amorphous grain boundary phase in Nd-Fe-B sintered magnet","Junjiro Kanamori Memorial International Symposium",,,,,,2017,Sept. "Y. Tatetsu,S. Tuneyuki,Yoshihiro Gohda","First-Principles Study on the Magnetic Anisotropy of Ga-Added Nd-Fe-B Magnets","Junjiro Kanamori Memorial International Symposium",,,,,,2017,Sept. "K. Fujita,Yoshihiro Gohda","Estimation of the magnetoelectric coefficient at Fe/BiFeO3(001) heterointerfaces studied by first-principles calculations","J. Kanamori Memorial International Symposium",,,,,,2017,Sept. "藤田一大,合田 義弘","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","2017年日本金属学会秋季講演大会(161回)",,,,,,2017,Sept. "Y.Tatetsu,S. Tuneyuki,Yoshihiro Gohda","First-Principles Study on the Magnetic Anisotropy of Ga-Added Nd-Fe-B Magnets","Frontiers In Materials Science 2017",,,,,,2017,Sept. "立津 慶幸,常行 真司,合田 義弘","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","日本物理学会2017年秋季大会",,,,,,2017,Sept. "中村将吾,相内優太,合田 義弘","第一原理計算による磁性界面の局所磁気異方性解析","日本物理学会2017年秋季大会",,,,,,2017,Sept. "田中友規,合田 義弘","In/Si(111)-4×1表面上のBi原子吸着に関する第一原理計算","日本物理学会2017年秋季大会",,,,,,2017,Sept. "寺澤 麻子,合田 義弘","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)","日本物理学会2017年秋季大会",,,,,,2017,Sept. "藤田一大,合田 義弘","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","日本物理学会2017年秋季大会",,,,,,2017,Sept. "中村将吾,合田 義弘","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","第37回表面科学学術講演会",,,,,,2017,Aug. "寺澤 麻子,合田 義弘","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","第2回CDMSI研究会",,,,,,2017,July "立津 慶幸,常行 真司,合田 義弘","Nd-Fe-B磁石の元素添加効果に関する第一原理計算","第2回CDMSI(ポスト「京」重点課題(7))研究会",,,,,,2017,July "寺澤 麻子,合田 義弘","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","元素戦略磁性材料研究拠点成果公開シンポジウム",,,,,,2017,June "立津 慶幸,常行 真司,合田 義弘","First-principles study on the effects of subphases in Nd-Fe-B magnets","元素戦略磁性材料研究拠点成果公開シンポジウム",,,,,,2017,June "立津 慶幸,常行 真司,合田 義弘","First-principles study on element-doping effects in Nd-Fe-B sintered magnets","第75回ナノマグネティクス専門研究会",,,,,,2017,May "Y. Tatetsu,S. Tsuneyuki,Yoshihiro Gohda","First-principles study on element-doping effects in Nd-Fe-B sintered magnets","Intermag 2017",,,,,,2017,Apr. "Y. Tatetsu,S. Tsuneyuki,Yoshihiro Gohda","Ab-initio study of transition-metal-doping effects on magnetic anisotropy in Nd-Fe-B sintered magnets","TMS 2017 146th Annual Meeting & Exhibition",,,,,,2017,Mar. "長瀬 謙太郎,渡辺 成栄,山崎 詩郎,合田 義弘,中辻 寛,平山 博之","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)","日本物理学会第72回年次大会",,,,,,2017,Mar. "吉澤 香奈子,岩崎 誉志紀,合田 義弘,常行 真司","ルチルTiO2の酸素欠陥と複数の不純物水素","日本物理学会第72回年次大会",,,,,,2017,Mar. "藤田一大,合田 義弘","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","日本物理学会第72回年次大会",,,,,,2017,Mar. "S. Nakamura,Yoshihiro Gohda","First-principles study of the electronic structure of single-layer MnX/TM(001) (X=B, N, TM=Cu, Ag) surfaces","APS March Meeting 2017",,,,,,2017,Mar. "渡辺 成栄,合田 義弘","第一原理計算によるBi(110)/Si(111)√3×√3-Bの電子状態の解明","日本物理学会第72回年次大会",,,,,,2017,Mar. "寺澤 麻子,合田 義弘","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","日本物理学会第72回年次大会",,,,,,2017,Mar. "立津 慶幸,常行 真司,合田 義弘","Ga添加型Nd-Fe-Bの第一原理計算","日本物理学会第72回年次大会",,,,,,2017,Mar. "合田 義弘,立津 慶幸,常行 真司","ネオジム磁石の粒界構造と局所磁性の電子論",,"日本金属学会誌",," 81",," 26",2017,Jan. "立津 慶幸,常行 真司,合田 義弘","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","第2回CDMSI(ポスト「京」重点課題(7))シンポジウム",,,,,,2016,Dec. "Y. Tatetsu,S. Tsuneyuki,Yoshihiro Gohda","First-Principles Study of the Role of Cu in Improving the Coercivity of Nd-Fe-B Permanent Magnets",,"Phys. Rev. Appl.",," 6",," 064029",2016,Dec. "寺澤 麻子,合田 義弘","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","第2回CDMSIシンポジウム",,,,,,2016,Dec. "立津 慶幸,常行 真司,合田 義弘","第一原理計算によるNd-Fe-B磁石へのアプローチ","第16回 琉球大学物性研究会",,,,,,2016,Nov. "立津 慶幸,常行 真司,合田 義弘","永久磁石の微細構造特性解析と新化合物探索","第3回「京」を中核とするHPCIシステム利用研究課題 成果報告会",,,,,,2016,Oct. "藤田一大,合田 義弘","BiFeO3/強磁性体異相界面の第一原理計算","日本物理学会2016年秋季大会",,,,,,2016,Sept. "Yoshihiro Gohda","Effects of additive elements at Nd-Fe-B microstructure interfaces","EU-JAPAN Workshop on Computational Materials Design and Realization for Spintronics, Moltronics, Quantronics, Superconductivity and Topotronics,",,,,,,2016,Sept. "立津 慶幸,常行 真司,合田 義弘","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","日本物理学会2016年秋季大会",,,,,,2016,Sept. "中村将吾,合田 義弘","第一原理計算によるMnN/Cu(001)の電子状態の解明","日本物理学会2016年秋季大会",,,,,,2016,Sept. "Y. Tatetsu,S. Tsuneyuki,Yoshihiro Gohda","Ab-initio calculations of magnetic properties in Nd-Fe-B magnets with Cu existing around the interface","The 24th International Workshop on Rare-Earth and Future Permanent Magnets and Their Applications (REPM 2016)",,,,,,2016,Aug. "Y. Tatetsu,S. Tsuneyuki,Yoshihiro Gohda","Theoretical analysis of Cu addition effects in Nd-Fe-B magnets","8th joint European Magnetics Symposia (JEMS 2016)",,,,,,2016,Aug. "立津 慶幸,常行 真司,合田 義弘","磁性材料の高性能化?大規模電子状態計算による探索","第1回ポスト「京」重点課題(7)研究会「次世代の産業を支える新機能デバイス・高性能材料の創成",,,,,,2016,July "T. Miyamachi,S. Nakashima,S. Kim,N. Kawamura,Y. Tatetsu,Yoshihiro Gohda,S. Tsuneyuki,F. Komori","Epitaxially stabilized iron thin films via effective strain relief from steps",,"Phy. Rev. B",," 94",," 045439",2016,July "Y. Tatetsu,S. Tsuneyuki,Yoshihiro Gohda","Ab-initio study on transition-metal-doped Nd-Fe-B magnets","International Symposium on New Horizons in Condensed Matter Physics",,,,,,2016,June "Yoshihiro Gohda,Y. Tatetsu,S. Tsuneyuki","First-principles study of Cu-doped Nd-Fe-B micrustructure interfaces","E-MRS 2016 Spring Meeting",,,,,,2016,May "Yoshihiro Gohda","First-principles theory of magnets: microstructure interfaces","EMN Meeting on Magnetic Materials 2016",,,,,,2016,Mar. "田中友規,小林 祥希,合田 義弘","MnBi表面上ナノ構造の第一原理計算","日本物理学会第71回年次大会",,,,,,2016,Mar. "戸成 健,浜田 翔悟,合田 義弘","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","日本物理学会第71回年次大会",,,,,,2016,Mar. "Yoshihiro Gohda,H. Misawa,H. Tsuchiura,S. Tsuneyuki","First-principles study of interface magnetic properties of Nd-Fe-B magnet microstructures","13th Joint MMM-Intermag Conference",,,,,,2016,Jan. "合田 義弘","ネオジム磁石の材料組織に関する第一原理計算",,"分子シミュレーション研究会会誌「アンサンブル」",," 18-1",," 7",2016,Jan. "Yoshihiro Gohda","Electronic-structure calculations for magnetic interfaces","EMN Bangkok Meeting 2015,",,,,,,2015,Nov. "Yoshihiro Gohda","Property prediction and design of materials by first-principles simulations",,"J. Img. Soc. Jpn.",," 54",," 599",2015,Oct. "Yoshihiro Gohda,H. Misawa,H. Tsuchiura,S. Tsuneyuki","Interface magnetic anisotropy of Nd-Fe-B magnets","Psi-k Conference 2015",,,,,,2015,Sept. "合田 義弘","焼結磁石の材料組織界面における構造と電子状態","CAMMフォーラム",,,,,,2015,Aug. "Yoshihiro Gohda,H. Misawa,H. Tsuchiura,S. Tsuneyuki","Magnetism of interfaces between Nd2Fe14B and NdOx examined by first-principles calculations","The 22nd International Colloquium on Magnetic Films and Surfaces (ICMFS22)",,,,,,2015,July "Yoshihiro Gohda","First-principles study of microstructure interfaces of Nd-Fe-B magnets","ESICMM-G8 Symposium on Next Generation Permanent Magnets",,,,,,2015,June "Yoshihiro Gohda","Microstructure of Fe-based magnetic materials","The 3rd OpenMX/QMAS workshop",,,,,,2015,May "合田 義弘","磁石材料の微細構造界面特性解析と新化合物探索","日本物理学会第70回年次大会",,,,,,2015,Mar. "Yoshihiro Gohda,Z. Torbatian,T. Ozaki,S. Tsuneyuki","Magnetic anisotropy modified by strain effects in Y2Fe14B","APS March Meeting",,,,,,2015,Mar. "T. Tadano,Yoshihiro Gohda,S. Tsuneyuki","Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study",,"Phys. Rev. Lett.",," 114",," 095501",2015,Mar. "Yoshihiro Gohda,Z. Torbatian,T. Ozaki,S. Tsuneyuki","Magnetic anisotropy induced by itinerant electrons in Y2Fe14B","International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)",,,,,,2014,Dec. "T. Nakamura,Yoshihiro Gohda,et al.","Direct observation of ferromagnetism in grain boundary phase of Nd-Fe-B sintered magnet using soft x-ray magnetic circular dichroism",,"Appl. Phys. Lett.",," 105",," 202404",2014,Nov. "Yoshihiro Gohda,Z. Torbatian,T. Ozaki,S. Tsuneyuki","First-principles calculations of magnetic anisotropy due to itinerant electrons","59th Annual Magnetism and Magnetic Materials Conference (MMM2014)",,,,,,2014,Nov. "Yoshihiro Gohda,Z. Torbatian,T. Ozaki,S. Tsuneyuki","Strain effects on the magnetic anisotropy of Y2Fe14B","E-MRS 2014 Fall Meeting",,,,,,2014,Sept. "合田 義弘","磁石材料微細構造最適化に向けて − SPring-8との連携","第1回「京」と大型実験施設との連携利用シンポジウム",,,,,,2014,Sept. "合田 義弘","磁性材料と OpenMX","第 3 回 CMSI「京」・HPCI スパコン利用情報交換会",,,,,,2014,July "Z. Torbatian,T. Ozaki,S. Tsuneyuki,Yoshihiro Gohda","Strain effects on the magnetic anisotropy of Y2Fe14B examined by first-principles calculations",,"Appl. Phys. Lett.",," 104",," 242403",2014,June "T. Tadano,Yoshihiro Gohda,S. Tsuneyuki","Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations",,"J. Phys. Condens. Matter",," 26",," 225402",2014,May "合田 義弘","第一原理計算による表面・界面磁性","2014 年度第 1 回界面ナノ科学研究会",,,,,,2014,Apr. "M. Kawamura,Yoshihiro Gohda,S. Tsuneyuki","Improved tetrahedron method for the Brillouin-zone integration applicable to response functions",,"Phys. Rev. B",," 89",," 094515",2014,Mar. "Yoshihiro Gohda","First-principles theory on magnetism at interfaces","Collaborative Conference on Materials Research 2014 (CCMR2014),",,,,,,2014,Jan. "Y. Iwazaki,Yoshihiro Gohda,S. Tsuneyuki","Diversity of hydrogen configuration and its roles in SrTiO3-δ",,"APL Mater.",," 2",," 012103",2014,Jan. "Yoshihiro Gohda,S. Tsuneyuki","Optical conductivity of highly mismatched GaP alloys",,"Appl. Phys. Lett.",," 102",," 023901",2013,Jan. "Yoshihiro Gohda,S. Tsuneyuki","Structural phase transition of graphene caused by GaN epitaxy",,"Appl. Phys. Lett.",," 100",," 053111",2012,Jan. "合田 義弘,押山 淳,常行 真司","磁性元素が関与しない磁性?界面・点欠陥の役割を予測",,"日本物理学会誌",," 66",," 836-840",2011,Nov. "Yoshihiro Gohda,S. Tsuneyuki","Two-dimensional intrinsic ferromagnetism at nitride-boride interfaces",,"Phys. Rev. Lett.",," 106",," 047201",2011,Jan. "Yoshihiro Gohda,A. Oshiyama","Stabilization Mechanism of Vacancies in Group-III Nitrides: Exchange Splitting and Electron Transfer",,"J. Phys. Soc. Jpn.",," 79",," 083705",2010,July "Yoshihiro Gohda,S. Watanabe,A. Gro?","Quantum Electron Transport through Ultrathin Si Films: Effects of Interface Passivation on Fermi-Level Pinning",,"Phys. Rev. Lett.",," 101",," 166801",2008,Oct. "Yoshihiro Gohda,A. Oshiyama","Intrinsic ferromagnetism due to cation vacancies in Gd-doped GaN: First-principles calculations",,"Phys. Rev. B",," 78",," 161201",2008,Oct. "Yoshihiro Gohda,S. Schnur,A. Gro?","Influence of water on elementary reaction steps in electrocatalysis",,"Faraday Discuss.",," 140",," 233",2008,Aug. "Yoshihiro Gohda,S.T. Pantelides","Charging of Molecules during Transport",,"Nano Lett.",," 5",," 1217",2005,June "Yoshihiro Gohda","Ab initio method for electron transport and its applications to field emission from nanostructures",,,,,,,2003,Mar. "Yoshihiro Gohda,S. Watanabe","Total Energy Distribution of Field-Emitted Electrons from Al(100) Surface with Single-Atom Terminated Protrusion",,"Phys. Rev. Lett.",," 87",," 177601",2001,Oct. "Yoshihiro Gohda,S. Watanabe","Self-Consistent Density Functional Calculation of Field Emission Currents from Metals",,"Phys. Rev. Lett.",," 85",," 1750",2000,Aug.