凝聚态物理
居里温度
物理
自旋波
居里
磁化
从头算
随机相位近似
从头算量子化学方法
色散(光学)
交换互动
海森堡模型
自旋(空气动力学)
居里定律
居里-维斯定律
化学
量子力学
磁场
铁磁性
热力学
分子
作者
M. Pajda,J. Kudrnovský,I. Turek,V. Drchal,P. Bruno
出处
期刊:Physical review
日期:2001-10-01
卷期号:64 (17)
被引量:489
标识
DOI:10.1103/physrevb.64.174402
摘要
We have calculated Heisenberg exchange parameters for bcc-Fe, fcc-Co, and fcc-Ni using the scalar-relativistic spin-polarized Green function technique within the tight-binding linear muffin-tin orbital method and by employing the magnetic force theorem to calculate total energy changes associated with a local rotation of magnetization directions. We have also determined spin-wave stiffness constants and found the dispersion curves for metals in question employing the Fourier transform of calculated Heisenberg exchange parameters. Curie temperatures were calculated both in the mean-field approximation and within the Green function random phase approximation. The latter results were found to be in a better agreement with available experimental data.
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