Magnetism in tetragonal manganese-rich Heusler compounds
Magnetism in tetragonal manganese-rich Heusler compounds
复制标题
四方富锰霍斯勒化合物的磁性
DOI：
10.1103/physrevb.92.064417
复制
发表时间：
2015
影响因子：
3.7
通讯作者：
C. Felser
中科院分区：
文献类型：
--
作者：
Lukas Wollmann;S. Chadov;Jurgen Kubler;C. Felser
用密度泛函理论对富锰Heusler化合物的总能量进行了全面的研究。从一个大的立方母系统，四倍失真的响应进行了详细研究。我们从那些最有可能变成四次方的系统中挑选出保持立方的系统。的驱动力的tetraphite扭曲和它的磁性能的影响，特别是当它们偏离斯莱特-鲍林规则，以及居里温度的趋势，突出显示。通过偏态密度，电子结构的变化揭示了所观察到的趋势的微观起源。我们把注意力集中在磁晶各向异性，并发现非常高的值为tetrapheneHeusler化合物含有重过渡金属伴随着低磁矩，这表明这些材料是有前途的候选人自旋转移扭矩磁化开关应用。
A comprehensive study of the total energy of manganese-rich Heusler compounds using density functional theory is presented. Starting from a large set of cubic parent systems, the response to tetragonal distortions is studied in detail. We single out the systems that remain cubic from those that most likely become tetragonal. The driving force of the tetragonal distortion and its effect on the magnetic properties, especially where they deviate from the Slater--Pauling rule, as well as the trends in the Curie temperatures, are highlighted. By means of partial densities of states, the electronic structural changes reveal the microscopic origin of the observed trends. We focus our attention on the magnetocrystalline anisotropy and find astonishingly high values for tetragonal Heusler compounds containing heavy transition metals accompanied by low magnetic moments, which indicates that these materials are promising candidates for spin-transfer torque magnetization-switching applications.