Study of curie temperaure, spin polarization, ferromagnetism and transport behavior of Ba2CrXO6 (X = Ta, W, Re, Os) for spintronic

Abstract

The double perovskites (DPs) have become emerging aspirant for spintronic technology because of their stable, and multifunctional properties. Here in present article, the role 5d-electrons of Ta, W, Re, and Os in ferromagnetism, and thermoelectric behavior has been illustrated briefly. The ideal values of tolerance factor, formation energy and phonons dispersions are reported for structural, thermodynamic, and lattice dynamic stabilities. The higher Curie temperature and spin polarization has been addressed by Heisenberg model and spin density calculations. The ferromagnetism has been explained by the metallic and insulating channels of spin up and spin down configuration through hybridization, exchange energies, and exchange constants. The shifting of magnetic moments from Cr and X sites to Ba, O and interstitial sites ensures the exchange coupling due to spin of electrons rather than clustering. Furthermore, thermoelectric effect on the spin degree of electrons and transport characteristics are calculated by BoltzTraP code.