Thermoelectricity and superconductivity in pure and doped Bi2Te3 with Se

Thermoelectric and optoelectronic properties of pure and doped Bi2Te3 with Se have been investigated using full potential linearized augmented plane waves (FP-LAPWs). The generalized gradient approximation with spin orbit coupling (GGA + SOC) and the semi-classical Boltzmann transport theory are used. The calculated fundamental band gap of Bi2Te3 is 0.12 eV. The results of Pauli magnetic susceptibility show that the superconductivity transition temperature is about 5 K with different intensities for all compounds. The optical results show that metallic character is observed for energy range 1.60-6.35 eV. The obtained results are impotent for increasing the quality of thermoelectric and optoelectronic properties of materials based on Bi2Te3. (C) 2013 Elsevier B.V. All rights reserved.