Y. Gohda

activity

20152022

most citedImpact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study

271 citations · 549 across the 10 of their papers we have counts for

collaborators

Showing 2020Show all

3 papers · 1 filter

cond-mat.mtrl-sci2020

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

Asako Terasawa, Yoshihiro Gohda

We investigate the exchange coupling constant $J_{ij}$ in Nd $_{x}$ Fe $_{1 - x}$ amorphous alloys with different compositions within the framework of first-principles calculation. We obs…

cond-mat.mtrl-sci2020★ 35 cited

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

Tomonori Tanaka, Yoshihiro Gohda

Prediction of the Curie temperature is of significant importance for the design of ferromagnetic materials. Even though the Curie temperature has been estimated using the Heisenber…

cond-mat.mtrl-sci2020

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

Asako Terasawa, Sonju Kou, Taisuke Ozaki +1

For accurate first-principles computations of exchange coupling constants $J_{ij}$ by the Liechtenstein method with localized basis sets, we developed a scheme using the single-sit…

First-principles study of exchange coupling constants in Ndx​Fe1−x​ amorphous alloy

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

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

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