The Effect of Sn Doping on the Thermoelectric Properties of SiGe Using First Principle Technique

Abstract:

The thermoelectric properties of hexagonal SiGe doped with Sn with doping percentage of 12.5% and 25% were investigated using linearised augmented plane wave method using the WIEN2k package and semiclassical Boltztmann Transport equation using the BoltzTraP software for the purpose of understanding the role of Sn as a dopant in the SiGe. For temperature range of 300 to 1000 K, it can be seen that by doping with Sn, there is an improvement in overall thermal conductivity of the samples with the highest improvement is in the 25% doped sample. The conductivity vs temperature for 25% Sn doped SiGe also shows higher value through temperature range from 300 K to 1000 K, however the Seebeck coefficient decreases with Sn doping percentage for the same temperature range. Due to lower Seebeck coefficient and higher thermal conductivity values, the overall thermoelectric coefficient, ZT, of the doped compound is lower than the SiGe values with highest ZT equal to 0.29 and 0.17 at 650 K for 12.5% and 25% respectively while the ZT of simulated SiGe at 650 K is 0.35. Thus 25% Sn doping actually reduce the ZT but enhanced the thermal and electrical conductivity of SiGe for temperature range of 300 to 1000 K.

• Periodical: Materials Science Forum (Volume 1010)
• Pages: 327-333
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.1010.327
• Online since: September 2020
• Authors: Abdullah Chik*, Haw Wei Kheng, Ruhiyuddin Mohd Zaki, Faizul Che Pa, Akeem Adekunle Adewale, Yeoh Cheow Keat
• Keywords: Density Functional Theory, Thermoelectric Properties

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