Band Structure Calculations of Ferromagnetic Chromium Tellurides CrSiTe₃ and CrGeTe₃

Abstract

Band structure calculations using the spin-polarized ASW method were performed on the title compounds. Nonmetallic behavior is attributed to spin-polarization-induced opening of a gap at the Fermi level. Curie temperatures were calculated and found to be in reasonable agreement with the real evolution of silicon and germanium derivatives.