Department of Physics, St-Petersburg State University, Ul'yanovskaya ulitsa 1, Petrodvorets, St Petersburg 198504, Russia.
J Phys Condens Matter. 2012 May 2;24(17):176002. doi: 10.1088/0953-8984/24/17/176002. Epub 2012 Apr 3.
The magnetic response of itinerant electrons systems to an external magnetic field is investigated on the basis of a microscopic Hamiltonian from which the spin-polarized electronic structure is determined. The magnetic moment and grand thermodynamic potential of the d-electronic subsystem on a particular atomic site in the presence of the external field are calculated as a function of the moment's orientation for fixed electron configuration of its local environment. Self-consistent magnetic solutions strongly depend on the d-electron number, determined by the position of the d level relative to the Fermi energy. For parameters corresponding to α-Fe, two branches of self-consistent solutions with high and low magnetic moments are found. For parameters corresponding to bulk Cr, a Fe impurity in the Cr matrix and a Cr impurity in the Fe matrix, there are only low-spin solutions. The theory is also applied for describing magnetization reversal processes in exchange spring magnets. A slab of Fe was considered as a soft magnetic layer. The influence of the hard magnet is modeled by the inclusion of an external magnetic field applied to the interface Fe layers. The dependence of the hysteresis loop on the thickness of the Fe slab and on the value of the interface field is investigated.
基于一个微观哈密顿量,研究了巡游电子系统对外磁场的磁响应,该哈密顿量确定了自旋极化的电子结构。在外磁场存在的情况下,计算了特定原子位置上的 d 电子子系统的磁矩和巨热力学势,作为其局部环境电子构型固定时磁矩取向的函数。自洽磁解强烈依赖于 d 电子数,这由 d 能级相对于费米能的位置决定。对于对应于 α-Fe 的参数,发现了具有高和低磁矩的自洽解的两个分支。对于对应于体 Cr 的参数,在 Cr 基体中的 Fe 杂质和在 Fe 基体中的 Cr 杂质中,只有低自旋解。该理论还应用于描述交换弹簧磁体中的磁化反转过程。考虑了 Fe 薄片作为软磁层。通过在界面 Fe 层上施加外部磁场来模拟硬磁体的影响。研究了迟滞回线对 Fe 薄片厚度和界面场值的依赖关系。