Strong orbital polarization in orthorhombic DyMnO(3): A combined x-ray linear dichroism and ab initio electronic structure study

Abstract

We present a combined experimental and theoretical study on the Mn 3d orbital occupation in orthorhombic DyMnO(3) single crystals. We have observed a very strong polarization dependence in the Mn L(2,3) 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 e(g) band with a staggered d(3x2-r2)/d(3y2-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.