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Thermoelectric properties of SbNCa3 and BiNCa3 for thermoelectric devices and alternative energy applications |
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| Authors: | M Bilal Banaras Khan HA Rahnamaye Aliabad M Maqbool S Jalai Asadabadi I Ahmad |
| Affiliation: | 1. Center for Materials Modeling and Simulations, University of Malakand, Chakdara, Pakistan;2. Department of Physics, University of Malakand, Chakdara, Pakistan;3. Department of Physics, Hakim Sabzevari University, Sabzevar, Iran;4. Department of Materials Science & Technology, Qatar University, Doha, Qatar;5. Department of Physics & Astronomy, Ball State University, Muncie, IN 47306, USA;6. Department of Physics, Faculty of Science, University of Isfahan, Isfahan 81744, Iran |
| Abstract: | 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 92×1014 W/m K s and 88×1014 W/m K s for SbNCa3 and BiNCa3 respectively at a temperature of 900 K. The peak values of 5×1020/Ω m s and 5.2×1020/Ω 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. |
| Keywords: | Seebeck effect Electrical conductivity Thermal conductivity Alternative energy materials |
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