• First-principles investigation of electronic, structural, magnetic and thermodynamic properties of XMgO3 (X = Na, K and Rb)

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    • Keywords


      Perovskites; half-metal; magnetic moment; spin-flip; heat capacity.

    • Abstract


      In this paper, novel perovskite compounds XMgO$_3$ (X = Na, K and Rb) have been investigated intensively in the framework of density functional theory. The results of the magnetic and electronic properties of the perovskite reveal that the three perovskites are ferromagnets and are half-metals which make them idealfor spintronic devices. The magnetic moment of each perovskite is 3 μB. The compounds are also found to be mechanically and thermodynamically stable. From their B/G ratios, it is found that they are ductile and have highspecific heat capacities. When subjected to strains below their equilibrium lattice constants, the three compounds lose their magnetic moment.

    • Author Affiliations



      1. Department of Physics, University of Benin, Benin City, Nigeria
    • Dates

  • Pramana – Journal of Physics | News

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      Posted on July 25, 2019

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