Magnesium Silicide is one of the interesting thermoelectric materials known for relative abundance of its constituents, thermal stability, non-toxicity and environmental friendly nature. In this paper we have theoretically studied Bi doped Mg2Si. The electronic structure calculations predict non-existence of the energy gap for Mg2Si1−xBixwith (0.125≤ x≤0.5). It has been found that the system with x=0.125 exhibits highest Seebeck coefficient and electrical conductivity. Due to low thermal conductivity at x=0.125, Mg2Si0.875Bi0.125attained maximum value of dimensionless figure of merit 0.67 at 1200 K. With increase in concentration of Bi, the value of figure of merit decreases.
Kaur, K., & Kumar, R. (2016). Enhancement of figure of merit (ZT) by doping Bi in Mg2Si for energy harvesting applications. Progress in Natural Science: Materials International, 26(6), 533–539. https://doi.org/10.1016/j.pnsc.2016.11.003