半导体学报（英文版）2012，Vol.33Issue(12)：5-10,6.DOI:10.1088/1674-4926/33/12/123002
Prediction of semiconducting behavior in minority spin of Co2CrZ (Z =Ga, Ge, As):LSDA
Prediction of semiconducting behavior in minority spin of Co2CrZ (Z =Ga, Ge, As):LSDA
D.P.Rai 1R.K.Thapa1
作者信息
- 1. Department of Physics, Mizoram University, Aizawl, 796004, India
- 折叠
摘要
Abstract
Volume optimization was performed to obtain the theoretical lattice constants by using the generalized gradient approximation (GGA).The electronic and magnetic properties of Heusler alloys Co2CrZ (Z =Ga,Ge,As) were investigated by using local spin density approximation (LSDA).Amongst the systems under investigation,Co2CrGe and Co2CrGa give 100％ spin polarization at the Fermi level (EF).Co2CrGe and Co2CrGa are the most stable half-metallic ferromagnets (HMFs); their EF lie exactly at the gap of 0.24 eV and 0.38 eV,respectively,in the spin-down channel.Even though C02CrAs gives a distinct and bigger gap as compared to C02CrGa and C02CrGe,its EF is not located at the middle of the gap in the spin-down channel.We have also found that the total magnetic moments increase as the Z goes from Ga to As.The calculated density of states and band structures show the HMF character for Co2CrGe and Co2CrGa.关键词
GGA/ half-metallicity/ DOS/ spin polarization and band structureKey words
GGA/ half-metallicity/ DOS/ spin polarization and band structure引用本文复制引用
D.P.Rai,R.K.Thapa..Prediction of semiconducting behavior in minority spin of Co2CrZ (Z =Ga, Ge, As):LSDA[J].半导体学报（英文版）,2012,33(12):5-10,6.
