Electronic structure and related properties of metallic glasses: Linear muffin-tin orbital approach

被引:5
作者
Bose, SK [1 ]
机构
[1] Brock Univ, Dept Phys, St Catharines, ON L2S 3A1, Canada
来源
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE | 1998年 / 29卷 / 07期
关键词
D O I
10.1007/s11661-998-0010-8
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We describe various aspects of electronic structure calculation for amorphous metals using the linear muffin-tin orbital (LMTO) scheme. We discuss calculations of the magnetic properties within the framework of multiple scattering formalism assuming collinear magnetic structure and using the linear muffin-tin orbital Green's function method. Results for the effective exchange coupling parameters and local magnetic moments for amorphous Fe and Co are discussed with special emphasis on the dependence of these quantities on the local and global features of the structure. A method of calculating the electronic transport properties in transition metal glasses, based on the LMTO-recursion method and the Kubo-Greenwood formula, is presented. The practical limitations of the method and the ways to overcome them are briefly discussed.
引用
收藏
页码:1853 / 1863
页数:11
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