Abstract
In the present paper we have calculated thermoelectric properties of Al doped Mg2Si material (Mg2−xAlxSi, x=0.06) using Pseudo potential plane wave method based on DFT and Semi classical Boltzmann theory. The calculations showed n-type conduction, indicating that the electrical conduction are due to electron. The electrical conductivity increasing with increasing temperature and the negative value of Seebeck Coefficient also show that the conduction is due to electron. The thermal conductivity was increased slightly by Al doping with increasing temperature due to the much larger contribution of lattice thermal conductivity over electronic thermal conductivity.
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