"

Cookies ussage consent

Our site saves small pieces of text information (cookies) on your device in order to deliver better content and for statistical purposes. You can disable the usage of cookies by changing the settings of your browser. By browsing our site without changing the browser settings you grant us permission to store that information on your device.

I agree, do not show this message again.

Modified Becke-Johnson calculations applied to the electronic and optical properties of Mg and Mn doped PbS

A. GASSOUMI1,2,* , A. AL-SHAHRANI1, S. ALFAIFY1, H. ALGARNI1, R. VIDU3

Affiliation

  1. King Khalid University, Faculty of Science, Department of Physics, P.O. Box 9004, Abha 61413, Saudi Arabia
  2. Université de Tunis El Manar, Faculté des Sciences de Tunis, Laboratoire de Physique de la Matière Condensée, 2092 Tunis, Tunisia
  3. University of California, Department of Chemical Engineering and Materials Science, Davis, CA 95616, United States

Abstract

In this paper, electronic and optical properties of magnesium (Mg) and manganese (Mn) doped lead sulfide (PbS) compounds have been investigated based on the full-potential linear augmented plane wave (FP-LAPW) method by using the modified Becke-Johnson (mBJ) method. The detailed optical studied revealed that the band gap of pure PbS was found to be ~0.9 eV and Mg doped PbS exhibited direct band gap energy of ~2eV. Further, Mn doped PbS possess a metallic behavior. The PbS compound possess a cubic rock-salt structure with the space group Fm-3m and lattice parameter a = 5.931Å, which were used in our calculations. The optical parameters, such as dielectric constant, refractive index and reflectivity were analyzed. The results demonstrated that Mg and Mn doped PbS compounds have the potential to be used for optoelectronic applications..

Keywords

Mg and Mn doped PbS; Electronic properties; Optical properties.

Submitted at: Feb. 16, 2018
Accepted at: Oct. 10, 2018

Citation

A. GASSOUMI, A. AL-SHAHRANI, S. ALFAIFY, H. ALGARNI, R. VIDU, Modified Becke-Johnson calculations applied to the electronic and optical properties of Mg and Mn doped PbS, Journal of Optoelectronics and Advanced Materials Vol. 20, Iss. 9-10, pp. 453-458 (2018)