Electronic properties of CeOs4Sb12

摘要

CeOs4Sb|2 is a very interesting material due to the diversity of physical properties which could be dedicated to industrial applications. With this goal in mind, electronic structural calculations were performed in order to provide more information regarding its properties. The energy bands yielded information regarding its semiconductor behavior as well as a mini gap of the order of o.45 eV between the valence and conduction bands. Moreover, total and projected density of states yielded information of a possible hybridization between Ce I-, Os d- and p-, with Sb p- orbitals. Hence, this compound could be considered a likely candidate as a thermoelectric material.