A theoretical study of La-doping in strontium titanate

被引：32
|
作者：
Stashans, A [1 ]
Sánchez, P [1 ]
机构：
[1] Ctr Invest Fis Mat Condensada, Corporac Fis Fundamental & Aplicada, Quito, Ecuador
来源：
MATERIALS LETTERS | 2000年 / 44卷 / 3-4期
关键词：
ceramics; perovskites; strontium titanate; La-doped; quantum-chemical calculations;
D O I：
10.1016/S0167-577X(00)00018-5
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A study of La-doping in strontium titanate cubic and tetragonal phases has been carried out by means of an advanced quantum-chemical method developed for crystal calculations. The optimized geometry in the La-surrounding defective region shows considerable differences in atomic relaxation between two crystallographic phases. Calculated defect-induced local energy levels within the band-gap are discussed in terms of the available experimental data on the superconductivity studies. (C) 2000 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：153 / 157
页数：5
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