Electronic Structure And Magnetic Properties Of Rhombohedral Cr_(2)S_(3)

摘要

The energy bands, density of states and Compton profile of Cr_(2)S_(3) have been computed using band structure methods namely linear combination of atomic orbitals with density functional theory as well as by spin polarized relativistic Kronig-Kramer-Rostokar method. To analyze the theoretical data on electron momentum densities, the Compton profile of Cr_(2)S_(3) has been measured using 100mCi ~(241)Am Compton spectrometer. The isotropic profile satisfies the calculated profiles. The band structure calculations are also compared with the available data.