Abstract
We discuss the effects of different approximations to thermal conductivity and relaxation time on the thermoelectric figure of merit ZT in n-doped Mg3Sb2. We use density-functional electronic structure and Bloch-Boltzmann transport theory with an energy-dependent relaxation time. ZT is monotonically increasing with T in our range (300-700 K) with a maximum value of ∼1.5.
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