Investigation of structural and optoelectronic properties of BaThO3

被引：136

作者：

Murtaza, G. ^{[1
]}

Ahmad, Iftikhar ^{[1
]}

Amin, B. ^{[1
]}

Afaq, A. ^{[2
]}

Maqbool, M. ^{[3
]}

Maqssod, J. ^{[1
]}

Khan, I. ^{[1
]}

Zahid, M. ^{[1
]}

机构：

[1] Hazara Univ, Dept Phys & Astron, Mansehra, Pakistan

[2] Univ Punjab, Ctr Solid State Phys, Lahore, Pakistan

[3] Ball State Univ, Dept Phys & Astron, Muncie, IN USA

来源：

OPTICAL MATERIALS | 2011年 / 33卷 / 03期

关键词：

Oxide perovskite; FP-LAPW; Wide band gap; High frequency operating material; OPTICAL-PROPERTIES; LATTICE-CONSTANT; PREDICTION; BATIO3;

D O I：

10.1016/j.optmat.2010.10.052

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Structural and optoelectronic properties of BaThO3 cubic perovskite are calculated using all electrons full potential linearized augmented plane wave (FP-LAPW) method. Wide and direct band gap, 5.7 eV, of the compound predicts that it can be effectively used in UV based optoelectronic devices. Different characteristic peaks in the wide UV range emerges mainly due to the transition of electrons between valance band state O-p and conduction band states Ba-d, Ba-f, Th-f and Th-d. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：553 / 557

页数：5

共 32 条

[1] Conversion of Direct to Indirect Bandgap and Optical Response of B Substituted InN for Novel Optical Devices Applications [J].