Electronic and Thermo-Dynamical Properties of Rare Earth RE2X3 (X=O, S) Compounds: A Chemical Bond Theory

Abstract

The electrical, mechanical, and thermodynamic properties of cubic structured rare earth sesqui-chalcogenides RE2X3 (RE = La-Lu, X = O, S) are examined in this work using the chemical bond theory of solids. For these materials, the values of the homopolar gaps (Eh), ionic gaps (Ec), and average energy gaps (Ep) have been assessed. It has been discovered that the calculated values of the homopolar gap (Eh) and average energy gap (Ep) are in great agreement with the values derived from the Penn and Phillips models. The electrical, mechanical, and thermodynamic properties of these materials (RE2O3), such as their bulk modulus and heat of formation, have been estimated using the bond ionicity values. The computed values accord very well with the theoretical results that have been published thus far. PACS No.: 71.20.Eh, 71.15.Mb, 61.50.Ks, 71.15.Mb