Abstract
In this paper we investigate the thermoelectric properties of Mg2Ge material using first principles pseudo potential method based on density functional theory and Boltzmann transport equations. The calculations show n-type conduction, indicating that the electrical conduction is due to electron. The electrical conductivity decrease with temperature; the negative value of Seebeck Coefficient also shows that the conduction is due to electron. In this paper we have calculated Seebeck coefficient, electrical conductivity and thermal conductivity. The thermoelectric properties of system have been calculated in this temperature range 100K-1200K. The value of Figure of Merit (ZT) of this material is also increasing with temperature and maximum value is 4.58x10(-5).