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ARTICLE

Exploring of Be_1-xCr_xSe alloys for spintronics and optoelectronic applications

H. Ambreen^a, S. Saleem^a, S. A. Aldaghfag^b, M. Zahid^c, S. Noreen^c, M. Ishfaq^a, M. Yaseen^a,*

a Spin-Optoelectronics and Ferro-Thermoelectric (SOFT) Materials and Devices Laboratory, Department of Physics, University of Agriculture, Faisalabad 38040, Pakistan
b Department of Physics, College of Sciences, Princess Nourah bint Abdulrahman University, P. O. Box 84428, Riyadh 11671, Saudi Arabia
c Department of Chemistry, University of Agriculture Faisalabad, Faisalabad 38040, Pakistan

* Corresponding Author:

Chalcogenide Letters 2024, 21(4), 365-375. https://doi.org/10.15251/CL.2024.214.365

Received 29 February 2024; Accepted 29 April 2024;

Abstract

In this study, spin polarized density functional theory (DFT) is implemented to predict physical characteristic of Be_1-xCr_xSe (x = 6.25%, 12.5%, 18.75%, 25%) compound. The electronic characteristics of pure BeSe compound show semiconductor behavior but after Cr doping BeSe elucidate half-metallic ferromagnetism (HMF) for all doping concentrations. The outcomes elucidate the total magnetic moment MTot per Cr-atom are 4.0028, 4.0027, 4.0021 and 4.0002 μB for 6.25%, 12.5%, 18.75%, 25% concentrations, respectively and the magnetism mainly originated from d-state of the impurity atom which is further ensured from the magnetic spin density. Furthermore, the optical parameters are also computed to determine the effect of doping on the material’s response to incident light of energy spanning from 0 to 10 eV. The optical study depict that the studied systems possess maximum absorbance and optical conductivity in UV-range with minimal reflection. The overall outcomes illustrate that the Cr doped beryllium selenide (BeSe) is promising material for spintronic and optoelectronic devices.

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Keywords

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