First principles calculations of electronic structure and electrical resistivity are performed for the bulk Co2MnZ (Z=Al, Si) with the L21, B2 and A2 structure respectively. The obtained result indicates that the L21 and B2 structure are half-metallic and the degree of spin-polarization of the density of the states are close to 100%. However, half-metallicity is broken in the A2 structure and the degree of spin-polarization of the density of the states shows the opposite sign to those of L21 and B2 structure. The residual resistivities due to the substitution type atomic disorder effect of the Co2MnZ with the B2 and A2 structure are estimated in the order of 100 μΩcm, which are in good agreement with the experimental values at low temperatures.
ASJC Scopus subject areas
- Physics and Astronomy(all)