ELECTRONIC STRUCTURES AND PHOTOEMISSION SPECTROSCOPY OF DOUBLE-PEROVSKITE BA_{2}FEMOO_{6}

Abstract

The electronic structure of Ba2FeMoO6 (BFMO) has been investigated by using ph.otoemission spectroscopy (YES) and the LMTO band structure calculation in the LSDA+U method. It is found that the electronic states close to the Fermi level have the Mo t(25) down arrow and Fe t(2g) down arrow, character, exhibiting the half-metallic nature. The PES spectrum reveals a reasonably good agreement with the LSDA-f U electronic structure calculation.