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

Thermoelectric properties of two antiperovskites SbNCa3 and BiNCa3 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 Chi 10(14) W/m K s and 88 Chi 10(14) W/m K s for SbNCa3 and BiNCa3 respectively at a temperature of 900 K. The peak values of 5 Chi 10(20)/Omega m s and 5.2 Chi 10(20)/Omega m s are achieved for n-type SbNCa3 and BiNCa3 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. (C) 2014 Elsevier B.V. All rights reserved.