A 1ST PRINCIPLES CALCULATION OF THE KLV AUGER PROFILES OF SIMPLE METALS

被引：22

作者：

FOWLES, PS

INGLESFIELD, JE

WEIGHTMAN, P

机构：

[1] UNIV LIVERPOOL,SURFACE SCI RES CTR,LIVERPOOL L69 3BX,ENGLAND

[2] CATHOLIC UNIV NIJMEGEN,DEPT PHYS,6525 ED NIJMEGEN,NETHERLANDS

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1991年 / 3卷 / 06期

关键词：

D O I：

10.1088/0953-8984/3/6/002

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We model the local electronic structure around a core-ionized site in a simple metal self-consistently using an embedding technique. We consider the local densities of states of Na, Mg and Al and calculate from first principles KLV Auger profiles. The success of this approach is assessed by comparison with experiment and with approximations which may be used to simplify the calculation. The agreement with experiment is on the whole good although some discrepancy arises for the case of KL2.3V lineshapes.

引用

页码：641 / 653

页数：13

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