Asako Terasawa

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20122020

most citedEfficient algorithm based on Liechtenstein method for computing exchange coupling constants using localized basis set

44 citations · 58 across the 5 of their papers we have counts for

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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

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…

cond-mat.mtrl-sci2019★ 44 cited

Efficient algorithm based on Liechtenstein method for computing exchange coupling constants using localized basis set

Asako Terasawa, Munehisa Matsumoto, Taisuke Ozaki +1

For large-scale computation of the exchange coupling constants $J_{ij}$ , we reconstruct the Liechtenstein formula for localized orbital representation and simplify the energy integ…

cond-mat.mtrl-sci2018★ 7 cited

Hidden orders in amorphous structures: extraction of nearest neighbor networks of amorphous Nd-Fe alloys with Gabriel graph analyses