Comparison of the electronic band profiles and magneto-optic properties of cubic and orthorhombic SrTbO3

被引：18

作者：

Ali, Zahid ^{[1
]}

Khan, Imad ^{[1
]}

Ahmad, Iftikhar ^{[1
]}

Naeem, S. ^{[2
]}

Aliabad, H. A. Rahnamaye ^{[3
]}

Asadabadi, S. Jalali ^{[4
]}

Zhang, D. ^{[5
]}

机构：

[1] Univ Malakand, Dept Phys, Mat Modeling Ctr, Chakdara, Pakistan

[2] Islamic Azad Univ, Dept Phys, Peshawar, Pakistan

[3] Hakim Savzevari Univ, Dept Phys, Sabzevar, Iran

[4] Univ Isfahan, Fac Sci, Dept Phys, Esfahan 81744, Iran

[5] Calif State Univ Fresno, Dept Phys, Fresno, CA 93740 USA

来源：

PHYSICA B-CONDENSED MATTER | 2013年 / 423卷

关键词：

Perovskites oxides; DFT; Electronic band profiles; Semiconductivity; Magnetism; Optical properties; PARAMAGNETIC-RESONANCE; PREDICTION; CONSTANTS; EXCHANGE; CRYSTAL; BATBO3; IONS;

D O I：

10.1016/j.physb.2013.04.041

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The all electrons full potential linearized augmented plane waves (FP-LAPW) method with GGA+U is used to study SrTbO3 perovskite in cubic and orthorhombic phases. The structural parameters and ground state magnetic properties are found consistent with the experimental results. The electronic band structures and density of states demonstrate that SrTbO3 is a wide band gap semiconductor in both phases. The magnetic studies of the material show that the nature of the compound is G-type anti-ferromagnetic. The calculated magnetic moment of Tb+4 is found consistent with the experiments. Furthermore, the optical properties demonstrate that the optical gap of the material is 1.8 eV, which lies in the visible region of the electromagnetic spectrum and hence the compound can be used in optoelectronic devices. (C) 2013 Elsevier B.V. All rights reserved.

引用

页码：16 / 20

页数：5

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