VALENCE-BAND SPECTRA OF ALPHA-TEO2

被引：16

作者：

SUEHARA, S

YAMAMOTO, K

HISHITA, S

NUKUI, A

机构：

[1] National Institute for Research in Inorganic Materials, Tsukuba, Ibaraki 305

来源：

PHYSICAL REVIEW B | 1994年 / 50卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.50.7981

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structure and chemical bonding in alpha-TeO2 are investigated by x-ray-photoemission spectroscopy and first-principles cluster calculations. The calculated valence-band spectrum is in good agreement with the experimental one. The partial-density-of-states analysis shows an s-p hybrid on a Te atom in the bonding between Te and O atoms. Mulliken overlap populations indicate that four strong and two relatively weak Te-O bonds are formed around the Te atom.

引用

页码：7981 / 7983

页数：3

共 17 条

[1] DISCRETE VARIATIONAL X-ALPHA CLUSTER CALCULATIONS .1. APPLICATION TO METAL CLUSTERS [J].