331 citations · 1k across the 28 of their papers we have counts for
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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…
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…
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…
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…
High thermoelectric performance of distorted Bismuth (110) layer
L. Cheng, H. J. Liu, J. Zhang +6
The thermoelectric properties of distorted bismuth (110) layer are investigated using first-principles calculations combined with the Boltzmann transport equation for both electron…