Abstract
In this work, we have studied the thermoelectric properties of ZrNiSn system using the density functional theory and Boltzmann transport equations. Thermoelectric properties of this system have been calculated in 100-1200K temperature range. The negative value of seebeck coefficient of this system indicates that conduction is due to the electrons. Upto 1000K, the electrical conductivity decreases with increase in the temperature. While, the electronic thermal conductivity increases with increase in the temperature. The maximum power factor is attained at 1000K which is equal to 4×1011V2SK−2ms.