Density-functional theory calculations on the magneto-optical Kerr effects in Co2TiSn and Co2ZrSn

In this article we presented a scalar-relativistic + spin-orbit coupling local-density electronic calculation on magneto-optic Kerr effect (MOKE) for Heusler alloys Co2TiSn and Co2ZrSn. Though both alloys have very similar electronic band structures, the MOKE spectra exhibit quite different features. Kerr rotation spectrum of Co2TiSn showed two strong peaks near 3.8 and 6.7 eV while Co2ZrSn had four smaller Kerr rotations in the Kerr spectra. The calculated maximum Kerr angles of Co2TiSn were estimated about -0.94∘ and -0.59∘ with Lotentzian δ=0.1 and 0.2 eV, respectively. It is concluded that the contribution from Ti (or Zr) site to the optical conductivity is quite crucial in Heusler alloys.