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Impact of compression on the crystal structure, electronic and magnetic properties for bulk MoS$_2$
ASMA BOUARISSA HAGER MAGHRAOUI-MEHERZI AHMED GUEDDIM NADIR BOUARISSA
Volume 46 Published: 26 April 2023 Article ID 0089
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Keywords
Structural properties ;electronic structure ;magnetic domains ;high-pressure ;bulk MoS2. -
Abstract
The impact of pressure on structural parameters, electronic structure and magnetic properties in MoS$_2$ bulk material has been investigated using spin-polarized full-potential linearized augmented plane wave method in the Tran-Blaha-modified Becke-Johnson gradient approximation approach. Our findings at zero pressure in MoS$_2$ bulk material are usually dealing with the obtain able experimental input. With increasing pressure, the lattice parameters of MoS$_2$ bulk material are reduced, the material of interest has tendency to a metallic character and the total magnetic moment is increased non-monotonically in both spin-up and spin-down conduits. The impact of pressure on structural properties is more important vs. c-axis than a-axis.
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Author Affiliations
ASMA BOUARISSA1 HAGER MAGHRAOUI-MEHERZI1 AHMED GUEDDIM2 NADIR BOUARISSA3
- Faculté des Sciences de Tunis, Laboratoire de Chimie Analytique et Electrochimie, LR99Es15, Université de Tunis El Manar, 2092 Tunis, Tunisia
- Faculty of Science, Materials Science and Informatics Laboratory, University of Djelfa, 17000 Djelfa, Algeria
- Laboratory of Materials Physics and its Applications, University of M’sila, 28000, M’sila, Algeria
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Dates
- Published
- 26 April 2023
- Manuscript received
- 3 December 2022
- Accepted
- 9 January 2023
- Final version published online
- 26 April 2023
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Bulletin of Materials Science
Volume 46, 2023
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