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 CoaCrZ （Z -- Ga, Ge, As...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 CoaCrZ （Z -- Ga, Ge, As） were investigated by using local spin density approximation （LSDA）. Amongst the systems under investigation, CoECrGe and Co2CrGa give I00% spin polarization at the Fermi level （EF）. Co2CrGe and CoECrGa 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 CoaCrAs gives a distinct and bigger gap as compared to CoECrGa and CoECrGe, 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 CoECrGe and Co2CrGa.展开更多
We have shown here the results of PFEC(photofield emission current)calculated for GaAs(gallium arsenide).We have used the initial state wavefunctions derived using the Kronig-Penney potential model for evaluating the ...We have shown here the results of PFEC(photofield emission current)calculated for GaAs(gallium arsenide).We have used the initial state wavefunctions derived using the Kronig-Penney potential model for evaluating the PFEC.We have found that PFEC is not oscillatory as obtained by Modinos and Klient,[Solid State Commun.50,651(1984)],but it is an exponential function.展开更多
基金the DST Inspier research fellowship and RKT, a research grant from UGC(New Delhi,India)
文摘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 CoaCrZ （Z -- Ga, Ge, As） were investigated by using local spin density approximation （LSDA）. Amongst the systems under investigation, CoECrGe and Co2CrGa give I00% spin polarization at the Fermi level （EF）. Co2CrGe and CoECrGa 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 CoaCrAs gives a distinct and bigger gap as compared to CoECrGa and CoECrGe, 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 CoECrGe and Co2CrGa.
文摘We have shown here the results of PFEC(photofield emission current)calculated for GaAs(gallium arsenide).We have used the initial state wavefunctions derived using the Kronig-Penney potential model for evaluating the PFEC.We have found that PFEC is not oscillatory as obtained by Modinos and Klient,[Solid State Commun.50,651(1984)],but it is an exponential function.
