Study of energy bands and magnetic properties of Co2CrSi Heusler alloy

Bulletin of materials science

Dibya Prakash Rai¹  Sandeep¹  M P Ghimire¹  R K Thapa¹ 

[1] Department of Physics, Mizoram University, Aizawl 796 009, India$$Department of Physics, Mizoram University, Aizawl 796 009, IndiaDepartment of Physics, Mizoram University, Aizawl 796 009, India$$

关键词: FPâ€�?�LAPW;    LDA+U;    DOS;    magnetic moments;    band structures.;   

DOI  :  

学科分类：材料工程

来源: Indian Academy of Sciences

【 摘 要 】

The electronic and magnetic properties of Co₂CrSi is calculated by using full-potential linearized augmented plane wave (FPâ€�?�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.

【 授权许可】

Unknown