Real-space approach to the calculation of magnetocrystalline anisotropy in metals

被引：21

作者：

Beiden, SV ^{[1
]}

Temmerman, WM

Szotek, Z

Gehring, GA

Stocks, GM

Wang, Y

Nicholson, DMC

Shelton, WA

Ebert, H

机构：

[1] Univ Sheffield, Dept Phys, Sheffield, S Yorkshire, England

[2] SERC, Daresbury Lab, Warrington WA4 4AD, Cheshire, England

[3] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA

[4] Univ Munich, Inst Phys Chem, D-80333 Munich, Germany

来源：

PHYSICAL REVIEW B | 1998年 / 57卷 / 22期

关键词：

D O I：

10.1103/PhysRevB.57.14247

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have implemented the fully relativistic and spin-polarized extension of the locally self-consistent multiple-scattering method. We have calculated the spin and orbital magnetic moments and magnetocrystalline anisotropy energy of Fe, Ni, and Co in the face-centered-cubic (fcc) and hexagonal-close-packed(hcp) crystal structures. We have obtained fast convergence of these quantities in real space. Moreover, these results compare favorably with the results of conventional k-space methods.

引用

页码：14247 / 14253

页数：7

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