Half‐Metallic Ferromagnetism and Multifunctional Physical Properties of Sc2MnIn: A First‐Principles Study
A systematic analysis of the crystal structure along with the magnetic, mechanical, electronic, thermodynamic, and optical properties of Sc2MnIn was obtained from first‐principles methods within DFT as integrated into the WIEN2k code. Magnetic calculations confirm that the FM state corresponds to the stable configurati...