ELECTRONIC-STRUCTURE OF PD - COMPTON-SCATTERING, SOFT-X-RAY EMISSION AND X-RAY PHOTOELECTRON-SPECTRA

被引：23

作者：

PODLOUCKY, R ^{[1
]}

LASSER, R ^{[1
]}

WIMMER, E ^{[1
]}

WEINBERGER, P ^{[1
]}

机构：

[1] TECH UNIV VIENNA,INST TECH ELEKTROCHEM,A-1060 VIENNA,AUSTRIA

来源：

PHYSICAL REVIEW B | 1979年 / 19卷 / 10期

关键词：

D O I：

10.1103/PhysRevB.19.4999

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structure of Pd has been calculated in a self-consistent manner using the nonrelativistic augmented-plane-wave (APW) method and the Hedin-Lundqvist local-exchange-correlation approximation. Relativistic effects are discussed in terms of the relativistic Korringa-Kohn-Rostoker method for the self-consistent crystal potential. On the basis of the APW results theoretical intensities for the L2 emission spectrum and the Al-K valence photoelectron spectrum have been calculated and are compared with results of previous experiments. Compton profiles for single-crystalline Pd have been measured and these are compared to the theoretical profiles, obtained from the APW crystal wave functions. In all cases the agreement with experiment is satisfactory. © 1979 The American Physical Society.

引用

页码：4999 / 5012

页数：14

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