Electronic structure of the double-perovskiteBa2FeMoO6using photoemission spectroscopy

Abstract

The electronic structure of ${\mathrm{Ba}}_{2}{\mathrm{FeMoO}}_{6}$ (BFMO) has been investigated by using photoemission spectroscopy (PES). By varying $h\ensuremath{\nu}$ across the Mo $4d$ Cooper minimum, it is found that the states close to the Fermi level ${E}_{F}$ are predominantly of the Mo ${t}_{2g}\ensuremath{\downarrow}$ and Fe ${t}_{2g}\ensuremath{\downarrow}$ character. The measured PES spectrum is compared to the calculated electronic structure obtained in the local spin-density approximation (LSDA) and $\mathrm{LSDA}+U$ methods. The $\mathrm{LSDA}+U$ calculation yields better agreement with experiment in the peak positions than does the LSDA calculation. The present study supports the double exchange mechanism for the half-metallic ferrimagnetism in BFMO.