331 citations · 1.1k across the 25 of their papers we have counts for
6 papers · 1 filter
Phonon-limited electrical transport properties of intermetallic compound YbAl3 from first-principles calculations
Jinghua Liang, Dengdong Fan, Peiheng Jiang +2
We combine first-principles calculations and Boltzmann transport theory to study the electrical transport properties of intermetallic compound YbAl3. To accurately predict the elec…
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…
Thermoelectric properties of graphyne from first-principles calculations
P. H. Jiang, H. J. Liu, L. Cheng +4
The two-dimensional graphene-like carbon allotrope, graphyne, has been recently fabricated and exhibits many interesting electronic properties. In this work, we investigate the the…
The rhombohedral Sb2Se3 is also an intrinsic topological insulator
G. H. Cao, H. J. Liu, J. H. Liang +3
Topological insulators are new class of quantum materials, which have insulating energy gaps in bulk, but exhibit gapless edge states or surface states that are protected by time-r…
LaPtSb: a half-Heusler compound with high thermoelectric performance
Q. Y. Xue, H. J. Liu, D. D. Fan +3
The electronic and transport properties of the half-Heusler compound LaPtSb are investigated by performing first-principles calculations combined with semi-classical Boltzmann theo…
Thermal conductivities of phosphorene allotropes from first-principle calculations: a comparative study
J. Zhang, H. J. Liu, L. Cheng +5
Phosphorene has attracted tremendous interest recently due to its intriguing electronic properties. However, the thermal transport properties of phosphorene, especially for its all…