ELECTRONIC-STRUCTURE CALCULATION OF CUMN ALLOY

被引：1
|
作者：
KHOWASH, PK [1 ]
KHAN, DC [1 ]
机构：
[1] INDIAN INST TECHNOL,DEPT PHYS,KANPUR 208016,UTTAR PRADESH,INDIA
来源：
PRAMANA-JOURNAL OF PHYSICS | 1991年 / 36卷 / 02期
关键词：
ELECTRONIC STRUCTURE; ALLOYS;
D O I：
10.1007/BF02845704
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We have used a fully self-consistent multiple scattering X-alpha method within the local density formalism to study the charge distribution, bonding characteristics and the density of states in CuMn alloy. The charge distribution shows almost no ionic character but significant hybridization of s and d states is observed near the Fermi level. The crystal field splittings, ionization energies and the excitation energies are calculated and compared with experiments wherever available.
引用
收藏
页码：185 / 189
页数：5
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