Theoretical Investigation of Ferromagnetism and Optical Properties of CuCr2X4 (X = S, Se) Spinels via Ab-initio Calculations

Authors

  • Qasim Mahmood Basic & Applied Scientific Research Center, and Department of Physics, Imam Abdulrahman Bin Faisal University, P. O. Box 1982, 31441 Dammam Saudi Arabia
  • Jameelah Alzahrani Imam Abdulrahman Bin Faisal University, P.O. Box 1982, 31441, City Dammam, Saudi Arabia
  • T. Ghrib Imam Abdulrahman Bin Faisal University, P.O. Box 1982, 31441, City Dammam, Saudi Arabia

DOI:

https://doi.org/10.52131/jmps.2022.0301.0023

Keywords:

Density Functional Theory, Electronic Characteristics, Magnetic Properties, Crystal Field Energy

Abstract

The spintronics technology improve the spin functionality which captivated the existence of ferromagnetism. The control of magnetic properties by electrons spin and transport effect have been illustrated in CuCr2X4 (X = S, Se) spinels DFT through Wien2k and BoltztraP codes. The negative formation of energy established the thermodynamic stability of the examined spinels. The half metallic ferromagnetism in the analyzed spinel’s assures density of states. Magnetic moment (Integer value) and the insulating nature with down spin is the reaction of 100% spin polarization. The negative  attainment of the condition have presented the prevailing part of electrons spin to create ferromagnetism.

Author Biographies

Jameelah Alzahrani, Imam Abdulrahman Bin Faisal University, P.O. Box 1982, 31441, City Dammam, Saudi Arabia

Department of Physics

T. Ghrib, Imam Abdulrahman Bin Faisal University, P.O. Box 1982, 31441, City Dammam, Saudi Arabia

Department of Physics, College of Science

Downloads

Published

2022-06-30

How to Cite

Mahmood, Q., Alzahrani, J., & Ghrib, T. (2022). Theoretical Investigation of Ferromagnetism and Optical Properties of CuCr2X4 (X = S, Se) Spinels via Ab-initio Calculations. Journal of Materials and Physical Sciences, 3(1), 22–28. https://doi.org/10.52131/jmps.2022.0301.0023

Issue

Vol. 3 No. 1 (2022): June 2022

Section

Articles

License

Copyright (c) 2022 Qasim Mahmood, Jameelah Alzahrani, T. Ghrib

Creative Commons License

This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.