Publications (13)
Ultra-low lattice thermal conductivity induces high-performance thermoelectricity in Janus group-VIA binary monolayers
Shao-Bo Chen, San-Dong Guo, Bing Lv +3
In this paper, the electrical transport, thermal transport, and thermoelectric properties of three new Janus STe, SeTe, and SeTe monolayers are systematically stu…
Robust Large Gap Quantum Spin Hall Insulators in Methyl-functionalized III-Bi Buckled Honeycombs
Qing Lu, Busheng Wang, Xiang-Rong Chen +1
A large bulk band gap is critical for the applications of quantum spin hall (QSH) insulators in spintronics at room temperature. Based on first-principles calculations, we predict…
First-principles study of structural and electronic properties of multiferroic oxide Mn3TeO6 under high pressure
Xiao-Long Pan, Hao Wang, Lei Liu +2
Mn3TeO6 (MTO) has been experimentally found to adopt a P21/n structure under high pressure, which exhibits a significantly smaller band gap compared to the atmospheric R-3 phase. I…
How chemical functionalization affects the lattice thermal conductivities of antimony films?
Tian Zhang, Yuan-Yuan Qi, Xiang-Rong Chen +1
Chemical functionalization is an effective means to tune electronic and crystal structure of two-dimensional material, which may be crucial for moder microelectronics industry. Bas…
MyElas: An automatized tool-kit for high-throughput calculation, post-processing and visualization of elasticity and related properties of solids
Hao Wang, Y. C. Gan, Hua Y. Geng +1
Elasticity is one of the most fundamental mechanical properties of solid. In high-throughput design of advanced materials, there is an imperative demand for the capability to quick…
Hyperbolic Dispersion and Low-Frequency Plasmons in Electrides
Qi-Dong Hao, Hao Wang, Hong-Xing Song +2
Natural hyperbolic materials have attracted significant interest in the field of photonics due to their unique optical properties. Based on the initial successful explorations on l…