Electronic structure, magnetism and robust half-metallicity of new quaternary Heusler alloy FeCrMnSb

Abstract

A new quaternary Heusler alloy FeCrMnSb is identified by employing ab initio electronic structure calculations. It is stable in Y-structure which is also verified by various conditions governed by elastic constants c ij. It is a true half-metallic (HM) ferromagnet with integer magnetic moment of 2.00 μB per formula unit. The values of minority band gap and HM gap are found to be 0.65 eV and 0.1 eV, respectively. The HM character of FeCrMnSb sustains for 6% to 9% of uniform strain and 9% to 12% of tetragonal strain. This new quaternary Heusler alloy can be proved as an ideal candidate for spin valves and magnetic tunnel junction applications (MTJs).