First-principles Study on Half-metallic Properties of the CoMnCrSb Quaternary Heusler Compound

• DOI: 10.1007/s10948-016-3404-7
• Publication Date: 2016-01-30T01:19:41Z
• Authors: Saadi Berri
• Keywords: Heusler compound; Ferrimagnetism; Lattice constant

Within the framework of density functional theory, the electronic structure and magnetic properties have been studied for the CoMnCrSb quaternary Heusler compound. Features such as the lattice constant, the bulk modulus, and its pressure derivative are reported. The spin-up band of compound has metallic character, and spin-down band is semiconducting with an indirect gap of 0.50 eV at equilibrium lattice constant, resulting in stable half-metallic ferrimagnetic behavior with a magnetic moment of 3 μB. In addition, the ferromagnetic states are found to be energetically more favorable than paramagnetic states. Therefore, the CoMnCrSb compound is a candidate material for future spintronic application.