用原子团模型研究MuSb（Pt）的电子结构和磁学性质

用原子团模型研究MuSb（Pt）的电子结构和磁学性质 CLUSTER STUDIES ON THE ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF MuSh（Pt） 张龙 1 first-author 金准智 1 乔豪学 1 邹宪武 1 操武俊 1 黄良安 1 武汉大学物理系 武汉大学物理系 Department of Physics, Wuhan University Department of Physics, Wuhan University 使用原子团嵌入模型和自洽场自旋极化离散变分（ＤＶ）Ｘａ方法，对ＭｎＳｂ的电子结构和自旋磁矩进行了计算，并研究了Ｐｔ掺杂对ＭｎＳｂ电子结构与磁性的影响，讨论了ＭｎＳｂＰｔ中Ｋｅｒｒ偏转角显著增大的原因． This paper has investigated the electronic structure and spin magnetic moment of MuSh using embedded cluster model and the self-consistent spin-polarized discrete variational xa method. The influence of cluster size on the calculation results is discussed.Compared with ASW and experiments, the calculation results are satisfactory. The influences of Pt impurity to the electronic structure and magnetic properties of MuSh are also studied. The reasons for the enhancement of Kerr rotation in MnSbpt are discussed. 原子团 MuSh（Pt） 电子结构 Kerr偏转 cluster MnSb （Pt） electronic structure Kerr rotation O482.5 国家自然科学基金(61672102) 1995-05-01 2021-04-01 5