Synthesis, Powder X-Ray Diffraction, and Ab Initio Study of TlInSe2: Analysis of Its Thermoelectric Properties

Abstract

Seebeck Coefficients In article number , Yurii M. Chumakov, MirHasan Yu. Seyidov, and co-workers report first-principles calculations of the Seebeck coefficient in TlInSe2. The hybridization of Se and Tl orbitals near the top of valence band as well as Se, Tl, and In orbitals in conduction band may lead to giant values of the Seebeck coefficient as it is reported in literature.