Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy
Journal Article

Published: Wednesday, December 30, 2009
Citation: Physical Review B, Volume 80, Pages 233105
AIP Permalink: http://link.aps.org/doi/10.1103/PhysRevB.80.233105

Authors (3 total): L. J. Piper, K. Smith, L. Colakerol

Abstract: The widths of the valence bands in the copper (I) delafossites CuGaO2, CuInO2, and CuScO2 have been measured by O K-shell x-ray emission spectroscopy and are compared with previous experimental work on CuAlO2 and CuCrO2. In agreement with recent density-functional theory calculations it is found that the bandwidth decreases in the series CuAlO2>CuGaO2>CuInO2>CuScO2. It is shown that states at the top of the valence band are of dominant Cu 3dz2 atomic character but with significant mixing with O 2p states.