Study of energy bands and magnetic properties of Co2CrSi Heusler alloy

The electronic and magnetic properties of Co2CrSi is calculated by using full-potential linearized augmented plane wave (FP–LAPW) method based on density functional theory (DFT). Density of states (DOS), magnetic moment and band structures of the system are presented. For the exchange and correlation energy, local spin density approximation (LSDA+U) with the inclusion of Hubbard potential U is used. Our calculation shows indirect bandgap of 0·91 eV in the minority channel of DOS. This is supported by band structures and hence favoured the half metallic ferromagnetic (HMF) nature of the system. The effective magnetic moment of 4·006 μB also supported our conclusion with a near integral value. The DOS of Co and Cr were found to hybridize and was also responsible for the ferromagnetic nature of the system.