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H. ALGARNI1,2, A. GUEDDIM3,* , N. BOUARISSA4, O. A. AL-HAGAN1, T. F. ALHUWAYMEL5, M. AJMAL KHAN1
- Department of Physics, Faculty of Science, King Khalid University, P. O. Box 9004, Abha 61413, Saudi Arabia
- Research Center for Advanced Materials Science (RCAMS), King Khalid University, P. O. Box 9004, Abha 61413, Saudi Arabia
- Materials Science and Informatics Laboratory, Faculty of Science, University of Djelfa, 17000, Djelfa, Algeria
- Laboratory of Materials Physics and Its Applications, University of M'sila, 28000 M'sila, Algeria
- National Centre for Nanotechnology, King Abdulaziz City for Science and Technology (KACST), P. O. Box 6086, Riyadh 11442, Saudi Arabia
The crystal structure and optical spectra of MnAs with a NiAs-type hexagonal structure are investigated using spin-polarized full-potential calculations in the framework of the density functional theory within Wu-Cohen and Tran-Blaha-modified Becke-Johnson generalized gradient approximation approaches. Features such as lattice parameters, bulk modulus and its first-pressure derivative are presented. The evolution of the optical spectra as a function of the photon energy for both spin up and spin down channels is examined and discussed. The effect of spin channel on optical spectra is found to be significant. This may provide advantage of the spin degree of freedom making thus the material of interest as a potential candidate for use in fabrication of new functional spintronics materials..
Crystal structure, Optical spectra, MnAs; NiAs-structure, Spintronics.
Submitted at: June 20, 2020
Accepted at: Feb. 15, 2021
H. ALGARNI, A. GUEDDIM, N. BOUARISSA, O. A. AL-HAGAN, T. F. ALHUWAYMEL, M. AJMAL KHAN, Crystal structure and optical spectra of MnAs with a NiAs-type hexagonal structure, Journal of Optoelectronics and Advanced Materials Vol. 23, Iss. 1-2, pp. 53-57 (2021)
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