Study on electronic structure of CaTiO3 by spectroscopic measurements and energy band calculations

被引：42

作者：

Ueda, K ^{[1
]}

Yanagi, H ^{[1
]}

Hosono, H ^{[1
]}

Kawazoe, H ^{[1
]}

机构：

[1] Tokyo Inst Technol, Mat & Struct Lab, Midori Ku, Yokohama, Kanagawa 2268503, Japan

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1999年 / 11卷 / 17期

关键词：

D O I：

10.1088/0953-8984/11/17/311

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electronic structure of CaTiO3 was experimentally examined by x-ray and ultraviolet photoemission spectroscopy, bremsstrahlung isochromat spectroscopy (BIS) and x-ray absorption spectroscopy. The photoemission spectra and BIS spectra were compared with the partial density of states (PDOS) estimated by an energy band calculation for a fundamental interpretation of the experimental spectra. The calculated PDOS were in reasonable agreement with the experimental energy spectra and the features in the spectra were interpreted by a comparison of the spectra with the PDOS. It was concluded that the top of the valence band mainly consists of O 2p orbitals in non-bending states and the bottom of the conduction band is composed of Ti 3d orbitals in d-p pi* anti-bonding states.

引用

页码：3535 / 3545

页数：11

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