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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.

    • Author Affiliations



      1. Faculté des Sciences de Tunis, Laboratoire de Chimie Analytique et Electrochimie, LR99Es15, Université de Tunis El Manar, 2092 Tunis, Tunisia
      2. Faculty of Science, Materials Science and Informatics Laboratory, University of Djelfa, 17000 Djelfa, Algeria
      3. Laboratory of Materials Physics and its Applications, University of M’sila, 28000, M’sila, Algeria
    • Dates

  • Bulletin of Materials Science | News

    • Dr Shanti Swarup Bhatnagar for Science and Technology

      Posted on October 12, 2020

      Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
      Chemical Sciences 2020

      Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
      Physical Sciences 2020

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

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