77 citations · 142 across the 4 of their papers we have counts for
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cond-mat.mtrl-sci2014★ 44 cited
Phonon softening in paramagnetic bcc Fe and relationship with pressure-induced phase transition
Yuji Ikeda, Atsuto Seko, Atsushi Togo +1
Structural stability of paramagnetic (PM) body-centered cubic (bcc) Fe under pressure is investigated based on first-principles phonon calculations. Spin configurations of the PM p…
cond-mat.mtrl-sci2014★ 8 cited
Special quasirandom structure in heterovalent ionic systems
Atsuto Seko, Isao Tanaka
The use of a special quasirandom structure (SQS) is a rational and efficient way to approximate random alloys. A wide variety of physical properties of metallic and semiconductor r…
cond-mat.mtrl-sci2014★ 13 cited
Efficient determination of alloy ground-state structures
Atsuto Seko, Kazuki Shitara, Isao Tanaka
We propose an efficient approach to accurately finding the ground-state structures in alloys based on the cluster expansion method. In this approach, a small number of candidate gr…