Exchange interactions, spin waves, and transition temperatures in itinerant magnets
Exchange interactions, spin waves, and transition temperatures in itinerant magnets
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DOI：
10.1080/14786430500504048
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发表时间：
2006-04
影响因子：
1.6
通讯作者：
I. Turek;J. Kudrnovský;V. Drchal;P. Bruno
中科院分区：
文献类型：
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作者：
I. Turek;J. Kudrnovský;V. Drchal;P. Bruno
这贡献回顾了从头开始的两步程序，以确定交换相互作用，自旋波谱，和热力学性质的流动磁体。第一步，计算了系统在零温度下共线自旋结构的自洽电子结构。第二步，利用磁力定理和单电子格林函数确定有效经典海森堡哈密顿量的参数。海森堡-哈密顿量和统计物理方法被用于随后的磁振子色散定律、自旋波刚度常数和居里/纳姆伊温度的评估。所开发方案的适用性通过各种系统的选择性质来说明，例如过渡和稀土金属，无序合金（包括稀释磁性半导体），超薄膜和表面。并与其他从头算方法进行了比较。
This contribution reviews an ab initio two-step procedure to determine exchange interactions, spin-wave spectra, and thermodynamic properties of itinerant magnets. In the first step, the self-consistent electronic structure of a system is calculated for a collinear spin structure at zero temperature. In the second step, parameters of an effective classical Heisenberg Hamiltonian are determined using the magnetic force theorem and the one-electron Green functions. The Heisenberg Hamiltonian and methods of statistical physics are employed in subsequent evaluation of magnon dispersion laws, spin-wave stiffness constants, and Curie/Néel temperatures. The applicability of the developed scheme is illustrated by selected properties of various systems such as transition and rare-earth metals, disordered alloys including diluted magnetic semiconductors, ultrathin films, and surfaces. A comparison to other ab initio approaches is presented as well.