Impact of compression on the crystal structure, electronic and magnetic properties for bulk MoS2

被引：0
作者：
Asma Bouarissa
Hager Maghraoui-Meherzi
Ahmed Gueddim
Nadir Bouarissa
机构：
[1] Université de Tunis El Manar,Faculté des Sciences de Tunis, Laboratoire de Chimie Analytique et Electrochimie, LR99Es15
[2] University of Djelfa,Faculty of Science, Materials Science and Informatics Laboratory
[3] University of M’sila,Laboratory of Materials Physics and its Applications
来源：
Bulletin of Materials Science | / 46卷
关键词：
Structural properties; electronic structure; magnetic domains; high-pressure; bulk MoS;
D O I：
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中图分类号：
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摘要：
The impact of pressure on structural parameters, electronic structure and magnetic properties in MoS2 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 MoS2 bulk material are usually dealing with the obtainable experimental input. With increasing pressure, the lattice parameters of MoS2 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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