Ab initio Prediction of Mechanical, Electronic, Magnetic and Transport Properties of Bulk and Heterostructure of a Novel Fe-Cr based Full Heusler Chalcogenide

Joydipto Bhattacharya, Rajeev Dutt, Aparna Chakrabarti

Using electronic structure calculations based on density functional theory, we predict and study the structural, mechanical, electronic, magnetic and transport properties of a new…