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In line for semiconducting electronic properties, we systematically scrutinize the likely to be grown half-Heusler compounds XTaZ (X = Pd, Pt and Z = Al, Ga, In) for their stability and thermoelectric properties. The energetically favored F-43m configuration of XTaZ alloys at equilibrium lattice constant is a promising non-magnetic semiconductor reflected from its total valence electron count (N_V = 18) and electronic structure calculations. Alongside mechanical stability, the dynamic stability is guaranteed from lattice vibrations and the phonon studies. The energy gaps of these stable Ta-based materials with Z = Ga are estimated to reach as high as 0.46 eV when X = Pd and 0.95 eV when X = Pt; however, this feature is reduced when Z = Al/In and X = Pd/Pt, respectively. Lattice thermal conductivity calculations are achieved to predict the smallest room temperature value of K_L = 33.6 W/K (PdTaGa) and …