Analysing cation-modified magnetic perovskites A<sub>2</sub>SnFeO<sub>6</sub>(A = Ca, Ba): a DFT study
Saveer Ahmad Khandy, Dinesh C. Gupta
Abstract
) mostly arising at (Fe). The induced magnetism of oxygen atoms is due to the overlapping between Fe-3d-O-2p orbitals. The mechanical strength is characterized from cubic elastic parameters that decide the capability of these materials against various external distortion forces displaying brittle nature. Apart from this, the semi-classical Boltzmann transport theory embedded in BoltzTraP package has been keenly addressed to turn out Seebeck coefficients, electrical and lattice thermal conductivities. The overall study creates a significant momentum in connection with the development of unlocking spintronics, spin dynamics and energy harvesting applications.
Topics & Concepts
OctahedronCrystallographyPerovskite (structure)Materials scienceChemistryCondensed matter physicsCrystal structurePhysicsMagnetic and transport properties of perovskites and related materialsPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic properties