Ab initio FP-LAPW study of the semiconductors SnO and SnO2

被引：60

作者：

Errico, Leonardo A. ^{[1
]}

机构：

[1] Natl Univ La Plata, Fac Ciencias Exactas, Dept Fis, IFLP, La Plata, Buenos Aires, Argentina

来源：

PHYSICA B-CONDENSED MATTER | 2007年 / 389卷 / 01期

关键词：

SnO; SnO2; FP-LAPW; electronic and structural properties; EFG;

D O I：

10.1016/j.physb.2006.07.041

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Structural and electronic properties of tin oxides, SnO and SnO2, were studied using the full-potential linearized-augmented-planewaves method within the local density and the generalized gradient approximations. Internal positional parameters, density of states and the electric-field gradient tensor at Sn sites were calculated. The results for the electronic and structural properties are compared to experimental measurements and with results obtained in different band-structure calculations. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：140 / 144

页数：5

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