Orbital character of O 2p unoccupied states near the Fermi level in CrO2

Abstract

The orbital character, orientation, and magnetic polarization of the O 2$p$ unoccupied states near the Fermi level ($E_F$) in CrO$_2$ was determined using polarization-dependent X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD) from high-quality, single-crystal films. A sharp peak observed just above $E_F$ is excited only by the electric field vector ($\bf E$) normal to the tetragonal $c$-axis, characteristic of a narrow band ($\approx$ 0.7 eV bandwidth) constituted from O 2$p$ orbitals perpendicular to $c$ (O 2$p_y$) hybridized with Cr 3$d_{xz-yz}$ $t_{2g}$ states. By comparison with band-structure and configuration-interaction (CI) cluster calculations our results support a model of CrO$_2$ as a half-metallic ferromagnet with large exchange-splitting energy ($Δ_{exch-split}$ $\approx$ 3.0 eV) and substantial correlation effects.