First-principles calculations of thermoelectric properties in magnetic materials
ISSP Activity Report 2019, p. 70-71…続きを読む
First-principles calculation of thermophysical properties of solids with strong phonon anharmonicity
ISSP Activity Report 2019, p. 15-24…続きを読む
Electrochemical Reaction Analysis Using Density Functional Calculation + Implicit Solvation Model
ISSP Activity Report 2019, p. 80-81…続きを読む
First-principles Theoretical Study of Chemical Reactions in Heterogeneous Catalysts
ISSP Activity Report 2019, p. 95-96…続きを読む
Ab Initio Calculation of High-Rate Deposition of Copper Film by Low-Pressure Chemical Vapor Deposition with CuI on Ru Substrate
ISSP Activity Report 2019, p. 158…続きを読む
Ab initio derivation of effective low-energy model of Ca5Ir3O12
ISSP Activity Report 2019, p. 68-69…続きを読む
First-principles calculations of multiferroic interfaces
ISSP Activity Report 2019, p. 99…続きを読む
Systematics of Curie temperature in rare earth permanent magnet materials
ISSP Activity Report 2019, p. 147…続きを読む
first-principles calculation of exchange coupling constants and investigation of interface magnetism for various phases and their interfaces of permanent magnets
ISSP Activity Report 2019, p. 115-116…続きを読む
First-principles study on the stability of magnetic alloys
ISSP Activity Report 2019, p. 105…続きを読む