4 papers
High thermoelectric performance of half-Heusler compound BiBaK with intrinsically low lattice thermal conductivity
S. H. Han, Z. Z. Zhou, C. Y. Sheng +4
Half-Heusler compounds usually exhibit relatively higher lattice thermal conductivity that is undesirable for thermoelectric applications. Here we demonstrate by first-principles c…
High thermoelectric performance of two-dimensional (PbTe)2 layer
Caiyu Sheng, Dengdong Fan, Huijun Liu
The electronic, phonon and thermoelectric transport properties of (PbTe)2 layer are systematically investigated by using first-principles pseudopotential method and Boltzmann trans…
High thermoelectric performance in the hexagonal bilayer structure consisting of light boron and phosphorus elements
Z. Z. Zhou, H. J. Liu, D. D. Fan +2
Two-dimensional layered materials have attracted tremendous attentions due to their extraordinary physical and chemical properties. Using first-principles calculations and Boltzman…
Predicting the optimized thermoelectric performance of MgAgSb
C. Y. Sheng, H. J. Liu, D. D. Fan +5
Using first-principles method and Boltzmann theory, we provide an accurate prediction of the electronic band structure and thermoelectric transport properties of alpha-MgAgSb. Our…