Ab initio study of electronic density of state and photoabsorption of Ga1-xMnxAs under pressure

被引：5

作者：

Pluengphon, Prayoonsak ^{[1
]}

Bovornratanaraks, Thiti ^{[2
,3
]}

Vannarat, Sornthep ^{[4
]}

Pinsook, Udomsilp ^{[2
,3
]}

机构：

[1] Huachiew Chalermprakiet Univ, Fac Sci & Technol, Div Phys Sci, Samut Prakan 10540, Thailand

[2] Chulalongkorn Univ, Fac Sci, Dept Phys, Extreme Condit Phys Res Lab, Bangkok 10330, Thailand

[3] CHE, ThEP Ctr, Bangkok 10400, Thailand

[4] Natl Elect & Comp Technol Ctr, Large Scale Simulat Res Lab, Pathum Thani 12120, Thailand

来源：

SOLID STATE COMMUNICATIONS | 2015年 / 202卷

关键词：

GENERALIZED GRADIENT APPROXIMATION; FERROMAGNETIC SEMICONDUCTORS; MOLECULAR-DYNAMICS; OPTICAL-PROPERTIES; PHASE-TRANSITIONS; III-V; GAAS; EXCHANGE; MN)AS; (GA;

D O I：

10.1016/j.ssc.2014.10.016

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Ab initio calculation based on density functional theory was performed for studying high-pressure effects on the electronic properties and photoabsorption of Ga1-xMnxAs. Mn atom was substituted into the varied GaAs super cells, which observed the Mn concentrations at 3.70%, 8.33% and 12.50%. In zinc blende phase of Ga1-xMnxAs, we found that the effects of Mn on GaAs in the pressure range 0-10 GPa are the reducing of band gap, generating of impurity peak and increasing of photoabsorption coefficient. The impurity peaks in Ga1-xMnxAs decrease under pressure increasing because the carriers were excited to conduction band by the effect of bond lengths reducing. The tendency of absorption coefficient of Ga1-xMnxAs in range of light-wavelength depends on size of impurity peak. (C) 2014 Elsevier Ltd. All rights reserved.

引用

页码：19 / 23

页数：5

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