Electronic structure of Ln2O2Te (Ln=La, Sm and Gd) by X-ray absorption spectroscopy

Abstract

The oxytellurides are layered structure material which shows low lattice thermal conductivity and hence making them suitable for high temperature thermoelectric applications. We report the electronic structural properties of rare-earth doped oxytellurides [Ln2O2Te (Ln = La, Sm and Gd)] prepared by solid state reaction method. This research is focused on the suitability of rare-earth oxychalcogenide as a thermoelectric material using the electronic structure investigations. The X-ray absorption spectra at O K-edge show the O 2p bonding with Ln 5d and 4f and Te 5s states and the Ln M-edges show that the valences of Ln are to be trivalent or mixed states. The Ln M-edges are also simulated with Cowan code, and electronic structures of these oxytellurides are discussed. The substitution of different rare earth metals at the Ln-site, may enhance the thermoelectric property and stability of the material.