Layered antiferromagnetism with high Neel temperature in the intermetallic compound Mn2Au
Layered antiferromagnetism with high Neel temperature in the intermetallic compound Mn2Au
复制标题
DOI：
10.1063/1.3003878
复制
发表时间：
2008-10-20
影响因子：
4
通讯作者：
Mohn, Peter
中科院分区：
文献类型：
--
作者：
Khmelevskyi, Sergii;Mohn, Peter
在早期实验研究的基础上，金属间化合物Mn2Au被表征为一种非磁性有序材料。本文报告了基于局部自旋密度近似的第一性原理计算结果，该结果描述了Mn2Au在Mn位点上具有具有刚性局域矩的窄带基态。基于磁力定理的原子间交换常数的计算和由此产生的类海森堡哈密顿量的蒙特卡罗模型预测了类似于1600 K的高尼尔温度。这个温度远远高于其他已知的用于磁存储应用的高温反铁磁性L1(0)型锰基二元合金。(C) 2008年美国物理研究所。(DOI: 10.1063/1.3003878)
On the basis of earlier experimental studies the intermetallic compound Mn2Au has been characterized as a nonmagnetically ordered material. Here we report the results of first-principles calculations based on local spin-density approximation that describes Mn2Au to have a narrow band ground state with rigid local moments on the Mn sites. Calculations of the interatomic exchange constants based on the magnetic force theorem and a Monte Carlo modeling of the resulting Heisenberg-like Hamiltonian predict a high Neel temperature of similar to 1600 K. This temperature is considerably higher than for the other known high-temperature antiferromagnetic L1(0)-type Mn based binary alloys used in magnetic storage applications. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.3003878]