Laboratoire d'Etude des Microstructures, ONERA-CNRS, BP 72, F-92322 Châtillon Cedex, France.
J Phys Condens Matter. 2013 Feb 6;25(5):056005. doi: 10.1088/0953-8984/25/5/056005. Epub 2013 Jan 3.
CoPt equiatomic alloy orders according to the tetragonal L1(0) structure which favors strong magnetic anisotropy. Conversely, magnetism can influence the chemical ordering. We present here ab initio calculations of the stability of the L1(0) and L1(2) structures of Co-Pt alloys in their paramagnetic and ferromagnetic states. They show that magnetism strongly reinforces the ordering tendencies in this system. A simple tight-binding analysis allows us to account for this behavior in terms of some pertinent parameters.
CoPt 等原子合金按照有利于强磁各向异性的四方 L1(0)结构有序排列。相反，磁性会影响化学有序性。我们在此介绍了 Co-Pt 合金在顺磁和铁磁状态下 L1(0)和 L1(2)结构稳定性的第一性原理计算。结果表明，磁性在很大程度上增强了该体系的有序化趋势。简单的紧束缚分析使我们能够用一些相关参数来解释这种行为。
