2P X-RAY ABSORPTION OF 3D TRANSITION-METAL COMPOUNDS - AN ATOMIC MULTIPLET DESCRIPTION INCLUDING THE CRYSTAL-FIELD

被引：909

作者：

DEGROOT, FMF ^{[1
]}

FUGGLE, JC ^{[1
]}

THOLE, BT ^{[1
]}

SAWATZKY, GA ^{[1
]}

机构：

[1] STATE UNIV GRONINGEN,CTR MAT SCI,9747 AG GRONINGEN,NETHERLANDS

来源：

PHYSICAL REVIEW B | 1990年 / 42卷 / 09期

关键词：

D O I：

10.1103/PhysRevB.42.5459

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The metal 2p x-ray-absorption spectra (or L2,3 edges) of 3d transition-metal compounds are calculated, using atomic multiplet theory with inclusion of the cubic crystal field. A general overview of the effect of the cubic crystal field on the shape of the 3dN to 2p53dN+1 excitation spectrum is given for 14 common valencies of 3d transition-metal ions. Comparison to some high-resolution 2p x-ray-absorption spectra shows excellent agreement, which confirms the validity of the approach. Possible refinements of the theory, including lower-symmetry calculations and the inclusion of configuration interaction, are discussed. © 1990 The American Physical Society.

引用

页码：5459 / 5468

页数：10

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