ELECTRONIC-STRUCTURE OF TIOX (0.8-GREATER-THAN-X-GREATER-THAN-1.3) WITH DISORDERED AND ORDERED VACANCIES

被引:43
作者
BARMAN, SR
SARMA, DD
机构
[1] Solid State and Structural Chemistry Unit, Indian Institute of Science
来源
PHYSICAL REVIEW B | 1994年 / 49卷 / 23期
关键词
D O I
10.1103/PhysRevB.49.16141
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We report x-ray photoemission, UV photoemission, and bremsstrahung isochromat spectra of TiO with ordered vacancies in both Ti and O sublattices and of the series TiO(x) (0.8<x<1.3) containing disordered Ti and O vacancies. The details of the electronic structure are discussed in comparsion to band-structure calculations for the ordered structures performed in this work as well as to density of states obtained for the disordered systems within different approximate methods reported earlier in the literature. Our results in the valence-band regions indicate the need for a better theoretical approach to describe the effect of disordered vacancies on the electronic structure than has been attempted to date. Ti 2p core-level spectra indicate the existence of vacancy-induced local environments with the formal charge on the Ti atom ranging from 2 + to 4 +.
引用
收藏
页码:16141 / 16148
页数:8
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