Journal of Hebei University(Natural Science Edition) >

2021 , Vol. 41 >Issue 1: 15 - 22

DOI: https://doi.org/10.3969/j.issn.1000-1565.2021.01.003

Electronic structures and optical properties of Mn doped GaSb

  • ZHANG Hexiang ,
  • YANG Weixia ,
  • LIN Xueling ,
  • PAN Fengchun
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  • School of Physics and Electronic-Electrical Engineering, Ningxia University, Yinchuan 750021, China

Received date: 2019-11-22

  Online published: 2021-02-05

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Abstract

We use the LDA+U method of the first-principles calculation to calculate the band structures and optical properties of Mn doped GaSb semiconductor material. The computed results revealed that Mn can increase the absorption amplitude of Mn doped GaSb(Mn-GaSb)semiconductor system in the infrared and far-infrared region. Moreover, Mn substituted Ga(Mn@Ga)defect can improve the Mn-GaSb’s photocatalytic performances effectively. The impurity level induced by Mn can reduce the band gap of the doped system effectively. Compared with that of undoped GaSb system, the static dielectric constant of the function in the Mn-GaSb system is also heighted. The optical properties of Mn@Ga doped system are not only related to the molar concentration of Mn atoms, but also to the uniform Mn atoms. Our results show that the uniform Mn can prevent the formation of electron-hole pairs recombination centers, and the optical absorption peak and absorption range of the Mn-GaSb system are both the biggest in the infrared region with the Mn molar concentration being 12.5%.

Key words： first-principles; GaSb; Mn doped; optical properties

Cite this article

ZHANG Hexiang , YANG Weixia , LIN Xueling , PAN Fengchun . Electronic structures and optical properties of Mn doped GaSb[J]. Journal of Hebei University(Natural Science Edition), 2021 , 41(1) : 15 -22 . DOI: 10.3969/j.issn.1000-1565.2021.01.003

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