Thermoelectric properties of SbNCa3 and BiNCa3 for thermoelectric devices and alternative energy applications

Autor: Muhammad Maqbool, H. A. Rahnamaye Aliabad, S. Jalai Asadabadi, Iftikhar Ahmad, Muhammad Bilal, Banaras Khan
Rok vydání: 2014
Předmět:
Zdroj: Computer Physics Communications. 185:1394-1398
ISSN: 0010-4655
DOI: 10.1016/j.cpc.2014.02.001
Popis: Thermoelectric properties of two antiperovskites SbNCa 3 and BiNCa 3 are calculated using first principles calculations. High values of Seebeck coefficients are observed for these materials. Electrical and thermal conductivities are also calculated. Increase in thermal conductivity and decrease in electrical conductivity are found with increasing temperature. The maximum values of thermal conductivity are 92×10 14 W/m K s and 88×10 14 W/m K s for SbNCa 3 and BiNCa 3 respectively at a temperature of 900 K. The peak values of 5×10 20 /Ω m s and 5.2×10 20 /Ω m s are achieved for n-type SbNCa 3 and BiNCa 3 respectively at a temperature of 300 K. Figure of merit is achieved for these materials at room temperature which shows that these materials can be useful for thermoelectric devices and alternative energy sources.
Databáze: OpenAIRE