• Mathematical modelling of induced magnetisation @ Mn(II) ion doped in perovskite host

• # Fulltext

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

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

• # Pramana – Journal of Physics

Volume 95, 2021
All articles
Continuous Article Publishing mode

• # Editorial Note on Continuous Article Publication

Posted on July 25, 2019