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      https://www.ias.ac.in/article/fulltext/pram/095/0092

    • Keywords

       

      Electron magnetic resonance; zero field splitting; axial symmetry; magnetisation.

    • Abstract

       

      In the present study, zero field splitting (ZFS) parameters are investigated for Mn(II) ion doped perovskites, viz. PbTiO$_3$, BaTiO$_3$ and SrTiO$_3$. The ZFS parameter and magnetisation induced in the host are investigated using quantum mechanical perturbation theory and classical statistics. A mathematical derivation is proposed to study magnetisation and ZFS due to charge distribution generated electric field and spin–orbit coupling (SOC). The computation of ZFS parameters is performed using non-hybrid functional unrestricted Kohn–Sham (UKS). The mathematical formulation is valid for perovskites in the non-ferroelectric state and finite temperature range. The contour plot and mesh surface of the spin–orbit interaction and induced magnetisation are reported.

    • Author Affiliations

       

      MITESH CHAKRABORTY1 SWARAT CHAUDHURI1 ARUNAVA MUKHERJEE1

      1. Department of Physics, St. Xavier’s College, Ranchi 834 001, India
    • Dates

       
  • Pramana – Journal of Physics | News

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      Posted on July 25, 2019

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