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      Permanent link:
      https://www.ias.ac.in/article/fulltext/boms/038/04/1065-1068

    • Keywords

       

      MnB2 compound; electronic and magnetic structures; magnetic moment; DOS.

    • Abstract

       

      The self-consistent ab-initio calculations, based on density functional theory approach and using the full potential linear augmented plane wave method, are performed to investigate both electronic and magnetic properties of the MnB2 compounds. Polarized spin and spin–orbit coupling are included in calculations within the framework of the ferromagnetic state between two adjacent Mn atoms. Magnetic moment considered to lie along the (001) axes are computed. The antiferromagnetic and ferromagnetic energies of MnB2 systems are obtained. Obtained data from ab-initio calculations are used as input for the high-temperature series expansions (HTSEs) calculations to compute other magnetic parameters. The exchange interactions between the magnetic atoms Mn–Mn in MnB2 are established by using the mean field theory. The HTSEs of the magnetic susceptibility with the magnetic moments in MnB2 (𝑚Mn) through Ising model is given. The critical temperature 𝑇C (K) is obtained by HTSEs applied to the magnetic susceptibility series combined with the Padé approximant method. The critical exponent 𝛾 associated with the magnetic susceptibility is deduced as well.

    • Author Affiliations

       

      R Masrour1 2 E K Hlil3 M Hamedoun3 A Benyoussef2 4 5 O Mounkachi4 H El Moussaoui4

      1. Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, 63, 46000 Safi, Morocco
      2. LMPHE (URAC 12), Faculty of Science, Mohammed V-Agdal University, Rabat, Morocco
      3. Institut Néel, CNRS et Université Joseph Fourier, BP 166, F-38042 Grenoble Cedex 9, France
      4. Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat, Morocco
      5. Hassan II Academy of Science and Technology, Rabat, Morocco

    • Dates

       
      Published
      August 2015
      Manuscript received
      22 May 2014
      Accepted
      24 February 2015

  • 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

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      Physical Sciences 2020

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