磁気的フラストレーションに起因する高・中エントロピー合金における短範囲規則の第一原理計算

抄録

In Cr containing high and medium entropy alloys, the short-range order（SRO）is expected to decrease in the magnetic frustration of parallel pairs. The SRO in CrMnFeCoNi and CoCoNi alloys was investigated using first principles-based Monte Carlo simulations. In the initial stage of the SRO, the L1₂-type ordering occurred in CrMnFeCoNi and CrCoNi alloys. After the initial stage in CrMnFeCoNi, the Cr and Mn-rich layers and Co and Ni-rich layers were formed along one of ＜100＞ directions, which led to the the L1₀-type ordering. In CrCoNi, the MoPt₂ type ordering evolved after the initial stage of the SRO.