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7 papers · 2 filters
Effects of topological edge states on the thermoelectric properties of Bi nanoribbons
L. Cheng, H. J. Liu, J. H. Liang +4
Using first-principles calculations combined with Boltzmann transport theory, we investigate the effects of topological edge states on the thermoelectric properties of Bi nanoribbo…
Understanding the electronic and phonon transport properties of thermoelectric material BiCuSeO: a first-principles study
D. D. Fan, H. J. Liu, L. Cheng +5
Using first-principles pseudopotential method and Boltzmann transport theory, we give a comprehensive understanding of the electronic and phonon transport properties of thermoelect…
Stable Equilibria of Anisotropic Particles on Substrates: a Generalized Winterbottom Construction
Weizhu Bao, Wei Jiang, David J. Srolovitz +1
We present a new approach for predicting stable equilibrium shapes of crystalline islands on flat substrates, as commonly occur through solid-state dewetting of thin films. The new…
Molecular dynamics simulations of the lattice thermal conductivity of CuInTe2
J. Wei, H. J. Liu, L. Cheng +5
The lattice thermal conductivity of thermoelectric material CuInTe2 is predicted using classical molecular dynamics simulations, where a simple but effective Morse-type interatomic…
Crystal Structure Manipulation of the Exchange Bias in an Antiferromagnetic Film
Wei Yuan, Tang Su, Qi Song +8
Exchange bias is one of the most extensively studied phenomena in magnetism, since it exerts a unidirectional anisotropy to a ferromagnet (FM) when coupled to an antiferromagnet (A…
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…