Gohda Group Website

M. Watanabe, Y. Takagi, T. Tanaka, Y. Gohda, M. Adachi, M. Uchikoshi, T. Nakamura, M. Takata, and H. Fukuyama,
"Clarification of origin of positive excess volume of Pd–Fe binary alloys by using first-principles calculations and HAXPES",
Acta Mater. 267, 119718 (2024).
[Article PDF] [プレスリリース].
J. Okabayashi, T. Usami, A.M. Yatmeidhy, Y. Murakami, Y. Shiratsuchi, R. Nakatani, Y. Gohda, and K. Hamaya,
"Strain-induced specific orbital control in a Heusler-alloy-based interfacial multiferroics",
NPG Asia Mater. 16, 3 (2024).
[Article PDF] [Press Release].

S. Kamal, I. Seo, P. Bampoulis, M. Jugovac, C.A. Brondin, T. Menteş, I. Šarić-Janković, A. Matetskiy, P. Moras, P. Sheverdyaeva, T. Michely, A. Locatelli, Y. Gohda, M. Kralj, M. Petrović,
"Unidirectional Nano-Modulated Binding and Electron Scattering in Epitaxial Borophene",
ACS Appl. Mater. Interfaces 15, 57890 (2023).
Y. Murakami, T. Usami, R. Watarai, Y. Shiratsuchi, T. Kanashima, R. Nakatani, Y. Gohda and K. Hamaya,
"Metastable Co3Mn/Fe/Pb(Mg1/3Nb2/3)O3-PbTiO3 multiferroic heterostructures",
J. Appl. Phys. 134, 224101 (2023).
X. Tang, J.N. Li, H. Sepehri-Amin, A. Bolyachkin, A. Martin-Cid, S. Kobayashi, Y. Kotani, M. Suzuki, A. Terasawa, Y. Gohda, T. Ohkubo, T. Nakamura, and K. Hono,
"Unveiling the Origin of Large Coercivity in (Nd, Dy)-Fe-B Sintered Magnets",
NPG Asia Mater. 15, 50 (2023).
A.M. Yatmeidhy and Y. Gohda,
"Strain-induced magnetic anisotropy in Heusler alloys studied from first principles",
Appl. Phys. Express 16, 053001 (2023).
S. Enomoto, S. Kou, T. Abe, and Y. Gohda,
"Subphase exploration for SmFe12-based permanent magnets by Gibbs energies obtained with first-principles cluster-expansion method",
J. Alloys Compd. 950, 169849 (2023).
S. Nishino and Y. Gohda,
"Structures of Sm-Cu intermetallics with Fe as subphase candidates in SmFe12-based permanent magnets studied by first-principles thermodynamics",
Jpn. J. Appl. Phys. 62, 030902 (2023).
[Article PDF]
S. Tsuna and Y. Gohda,
"First-principles phonon calculations of neodymium-magnet compounds",
J. Appl. Phys.133, 115103 (2023).
[Article PDF]

S. Tsuna, R. Costa-Amaral, and Y. Gohda,
"Origin of anisotropic magnetoresistance tunable with electric field in Co2FeSi/BaTiO3 multiferroic interfaces",
J. Appl. Phys.132, 234101 (2022).
T. Ogino, I. Seo, H. Tajiri, M. Nakatake, S. Takakura, Y. Sato, Y. Hasegawa, Y. Gohda, K. Nakatsuji, and H. Hirayama,
"Superconductivity in a two monolayer thick indium film on Si(111)√3×√3-B",
Phys. Rev. B 106, 045423 (2022).
S. Fujii, T. Usami, Y. Shiratsuchi, A.M. Kerrigan, A.M. Yatmeidhy, S. Yamada, T. Kanashima, R. Nakatani, V.K. Lazarov, T. Oguchi, Y. Gohda, and K. Hamaya,
"Giant converse magnetoelectric effect in a multiferroic heterostructure with polycrystalline Co2FeSi",
NPG Asia Mater. 14, 43 (2022).
[Article PDF] [プレスリリース].

R. Costa-Amaral and Y. Gohda,
"Role of ferroelectricity, delocalization, and occupancy of d states in the electrical control of interface-induced magnetization",
Phys. Rev. Appl. 15, 064014 (2021).
[Article PDF]
Y. Gohda,
"First-principles determination of intergranular atomic arrangements and magnetic properties in rare-earth permanent magnets",
Sci. Technol. Adv. Mater. 22, 113 (2021).
[Article PDF]
K. Sugawara, I. Seo, S. Yamazaki, K. Nakatsuji, Y. Gohda, and H. Hirayama,
"Effective quantum-well width of confined electrons in ultrathin Ag(111) films on Si(111)7x7 substrates",
Surf. Sci. 704, 121745 (2021) .

T. Tanaka and Y. Gohda,
"Prediction of the Curie temperature considering the dependence of the phonon free energy on magnetic states",
npj Comput. Mater. 6, 184 (2020).
[Article PDF]
T. Tanaka and Y. Gohda,
"First-principles study of magnetism-dependent phonons governed by exchange ligand field",
J. Phys. Soc. Jpn. 89, 093705 (2020).
[Article PDF]
I. Seo, S. Yokota, Y. Imai, and Y. Gohda,
"First-principles Calculations on High-temperature Desorption Loss from Iridium",
Comput. Mater. Sci. 184, 109897 (2020).
[Article PDF]
Y. Ainai, S. Kou, Y. Tatetsu, and 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).
R. Costa-Amaral and 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).
Y. Ainai, T. Shiozawa, Y. Tatetsu, and Y. Gohda,
"First-principles study on surface stability and interface magnetic properties of SmFe12",
Appl. Phys. Express 13, 045502 (2020).
[Article PDF]
Y. Ainai, Y. Tatetsu, A. Terasawa, and Y. Gohda,
"First-principles study of crystalline Nd-Fe alloys",
Appl. Phys. Express 13, 017006 (2020).
[Article PDF]

Y. Hamazaki and Y. 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).
K. Kudo, Y. Hamazaki, S. Yamada, S. Abo, Y. Gohda, and K. Hamaya,
"Great Differences between Low-Temperature Grown Co2FeSi and Co2MnSi Films on Single-Crystalline Oxides",
ACS Appl. Electron. Mater. 1, 2371 (2019).
A. Terasawa, M. Matsumoto, T. Ozaki, and Y. Gohda,
"Efficient Algorithm Based on Liechtenstein Method for Computing Exchange Coupling Constants Using Localized Basis Set",
J. Phys. Soc. Jpn. 88, 114706 (2019).
K. Fujita and Y. Gohda,
"First-principles study of magnetoelectric coupling at Fe/BiFeO3(001) interfaces",
Phys. Rev. Appl. 11, 024006 (2019).
S. Nakashima, T. Miyamachi, Y. Tatetsu, Y. Takahashi, Y. Takagi, Y. Gohda, T. Yokoyama, and F. Komori,
"Dynamic Interface Formation in Magnetic Thin Film Heterostructures",
Adv. Funct. Mater. 29, 1804594 (2019)
[プレスリリース].

T. Tanaka and Y. Gohda,
"First-principles prediction of one-dimensional giant Rashba splittings in Bi-adsorbed In atomic chains",
Phys. Rev. B 98, 241409(R) (2018)
as a Rapid Communication [Article PDF] [Supplemental Material] [Press Release].
Y. Tatetsu, S. Tsuneyuki, and Y. Gohda,
"First-principles study on substitution effects in Nd2(Fe, X)14B",
Materialia 4, 388 (2018).
A. Terasawa and 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).
Y. Tatetsu, Y. Harashima, T. Miyake, and Y. Gohda,
"Role of typical elements in Nd₂Fe₁₄X (X=B, C, N, O, F)",
Phys. Rev. Mater. 2, 074410 (2018).
[Article PDF]
N. Tsuji, H. Okazaki, W. Ueno, Y. Kotani, D. Billington, A. Yasui, S. Kawaguchi, K. Sugimoto, K. Toyoki, T. Fukagawa, T. Nishiuchi, Y. Gohda, S. Hirosawa, K. Hono, and T. Nakamura,
"Temperature dependence of the crystal structures and phase fractions of secondary phases in a Nd-Fe-B sintered magnet",
Acta Mater. 154, 25 (2018).
Y. Gohda, Y. Tatetsu, and S. Tsuneyuki,
"Electron Theory on Grain-Boundary Structures and Local Magnetic Properties of Neodymium Magnets",
Mater. Trans. 59, 332 (2018).

S. Nakamura and Y. Gohda,
"Prediction of ferromagnetism in MnB and MnC on nonmagnetic transition-metal surfaces studied by first-principles calculations",
Phys. Rev. B 96, 245416 (2017).

Y. Tatetsu, S. Tsuneyuki, and Y. 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).
T. Miyamachi, S. Nakashima, S. Kim, N. Kawamura, Y. Tatetsu, Y. Gohda, S. Tsuneyuki, and F. Komori,
"Epitaxially stabilized iron thin films via effective strain relief from steps",
Phys. Rev. B 94, 045439 (2016).

Y. Gohda,
"Property prediction and design of materials by first-principles simulations",
J. Img. Soc. Jpn. 54, 599 (2015).
T. Tadano, Y. Gohda, and S. Tsuneyuki,
"Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study",
Phys. Rev. Lett. 114, 095501 (2015).

T. Nakamura, A. Yasui, Y. Kotani, T. Fukagawa, T. Nishiuchi, H. Iwai, T. Akiya, T. Ohkubo, Y. Gohda, K. Hono, and S. Hirosawa,
"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).
Z. Torbatian, T. Ozaki, S. Tsuneyuki, and Y. Gohda,
"Strain effects on the magnetic anisotropy of Y₂Fe₁₄B examined by first-principles calculations",
Appl. Phys. Lett. 104, 242403 (2014).
[Article PDF]
T. Tadano, Y. Gohda, and S. Tsuneyuki,
"Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations",
J. Phys.: Condens. Matter 26, 225402 (2014).
M. Kawamura, Y. Gohda, and S. Tsuneyuki,
"Improved tetrahedron method for the Brillouin-zone integration applicable to response functions",
Phys. Rev. B 89, 094515 (2014).
Y. Iwazaki, Y. Gohda, and S. Tsuneyuki,
"Diversity of hydrogen configuration and its roles in SrTiO_3-δ",
APL Mater. 2, 012103 (2014).

Y. Gohda and S. Tsuneyuki,
"Optical conductivity of highly mismatched GaP alloys",
Appl. Phys. Lett. 102, 023901 (2013).
Y. Gohda and S. Tsuneyuki,
"Structural phase transition of graphene caused by GaN epitaxy",
Appl. Phys. Lett. 100, 053111 (2012).
Y. Gohda and S. Tsuneyuki,
"Two-dimensional intrinsic ferromagnetism at nitride-boride interfaces",
Phys. Rev. Lett. 106, 047201 (2011).
Y. Gohda and A. Oshiyama,
"Stabilization Mechanism of Vacancies in Group-III Nitrides: Exchange Splitting and Electron Transfer",
J. Phys. Soc. Jpn. 79, 083705 (2010).
[Article PDF]
Y. Gohda, S. Schnur, and A. Groß,
"Influence of water on elementary reaction steps in electrocatalysis",
Faraday Discuss. 140, 233 (2009).
Y. Gohda and A. Oshiyama,
"Intrinsic ferromagnetism due to cation vacancies in Gd-doped GaN: First-principles calculations",
Phys. Rev. B 78, 161201(R) (2008).
Y. Gohda, S. Watanabe, and A. Groß,
"Quantum Electron Transport through Ultrathin Si Films: Effects of Interface Passivation on Fermi-Level Pinning",
Phys. Rev. Lett. 101, 166801 (2008).
Y. Gohda and S.T. Pantelides,
"Charging of Molecules during Transport",
Nano Lett. 5, 1217 (2005).
Y. Gohda and S. Watanabe,
"Total Energy Distribution of Field-Emitted Electrons from Al(100) Surface with Single-Atom Terminated Protrusion",
Phys. Rev. Lett. 87, 177601 (2001).
Y. Gohda, Y. Nakamura, K. Watanabe, and S. Watanabe,
"Self-Consistent Density Functional Calculation of Field Emission Currents from Metals",
Phys. Rev. Lett. 85, 1750 (2000).

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2014

Selected publications before 2014