Strong orbital polarization in orthorhombic DyMnO3: A combined x-ray linear dichroism and ab initio electronic structure study
Journal
Physical Review B
Journal Volume
81
Journal Issue
20
Date Issued
2010
Author(s)
Chen, J. M. et al.
Abstract
We present a combined experimental and theoretical study on the Mn3d orbital occupation in orthorhombic DyMnO3 single crystals. We have observed a very strong polarization dependence in the Mn L2,3 x-ray absorption spectra, indicative for a distinct anisotropic orbital occupation. Ab initio electronic-structure calculations clearly infer the existence of a strong orbital polarization in the eg band with a staggered d3 x2 - r2 / d3 y2 - r2 -type ordering pattern in the ab plane. This finding is in excellent agreement with a quantitative analyis of the spectra using the atomic multiplet cluster approach. © 2010 The American Physical Society.
Type
journal article