443 citations · 2k across the 20 of their papers we have counts for
14 papers · 1 filter
High thermoelectric performances in PbP monolayers considering full electron-phonon coupling and four-phonon scattering processes
Ao Wu, Yiming Zhang, Yujie Xia +4
The band convergence strategy, which improves Seebeck coefficient by inducing multi-valley in bandstructures, has been widely used in thermoelectric performance (TE) enhancing. How…
Towards Accurate Predictions of Carrier Mobilities and Thermoelectric Performances in 2D Materials
Yu Wu, Bowen Hou, Ying Chen +9
The interactions between electrons and lattice vibrational modes play the key role in determining the carrier transport properties, thermoelectric performance and other physical qu…
Effects of intervalley scatterings in thermoelectric performance of band-convergent antimonene
Yu Wu, Bowen Hou, Congcong Ma +10
The strategy of band convergence of multi-valley conduction bands or multi-peak valence bands has been widely used to search or improve thermoelectric materials. However, the phono…
Sub-picosecond photo-induced displacive phase transition in two-dimensional MoTe
Bo Peng, Hao Zhang, Weiwen Chen +6
Photo-induced phase transitions (PIPTs) provide an ultrafast, energy-efficient way for precisely manipulating the topological properties of transition-metal ditellurides, and can b…
High thermoelectric efficiency in monolayer PbI from 300 K to 900 K
Bo Peng, Haodong Mei, Hao Zhang +6
By using a first-principles approach, monolayer PbI is found to have great potential in thermoelectric applications. The linear Boltzmann transport equation is applied to obtai…
Theoretical investigation of novel electronic, optical, mechanical and thermal properties of metallic hydrogen at 495 GPa
Bo Peng, Ke Xu, Hao Zhang +7
Atomic metallic hydrogen has been produced in the laboratory at high pressure and low temperature, prompting further investigations of its different properties. However, purely exp…
Electronic, optical and transport properties of van der Waals Transition-metal Dichalcogenides Heterostructures: A First-principle Study
Ke Xu, Yuanfeng Xu, Hao Zhang +8
Two-dimensional (2D) transition-metal dichalcogenide (TMD) MX (M = Mo, W; X= S, Se, Te) possess unique properties and novel applications. In this work, we perform first-princip…
Electronic, transport and optical properties of monolayer and GeSe: A first-principles study
Yuanfeng Xu, Hao Zhang, Hezhu Shao +6
The extraordinary properties and the novel applications of black phosphorene induce the research interest on the monolayer group-IV monochalcogenides. Here using the first-principl…
Atomically sharp 1D SbSeI, SbSI and SbSBr with high stability and novel properties for microelectronic, optoelectronic, and thermoelectric applications
Bo Peng, Ke Xu, Hao Zhang +7
In scaling of transistor dimensions with low source-to-drain currents, 1D semiconductors with certain electronic properties are highly desired. We discover three new 1D materials,…
The anisotropic ultrahigh hole mobility in strain-engineering two-dimensional penta-SiC
Yuanfeng Xu, Zeyu Ning, Hao Zhang +7
Using the first-principles calculations based on density functional theory, we systematically investigate the strain-engineering (tensile and compressive strain) electronic, mechan…
Stability and Strength of Atomically Thin Borophene from First Principles Calculations
Bo Peng, Hao Zhang, Hezhu Shao +5
A new two-dimensional (2D) material, borophene (2D boron sheet), has been grown successfully recently on single crystal Ag substrates by two parallel experiments [Mannix \textit{et…
First-principle calculations of phononic, electronic and optical properties of monolayer arsenene and antimonene allotropes
Yuanfeng Xu, Bo Peng, Hao Zhang +5
Recently a stable monolayer of antimony in buckled honeycomb structure called antimonene was successfully grown on 3D topological insulator BiTe and SbTe, which dis…
Towards intrinsic phonon transport in single-layer MoS
Bo Peng, Hao Zhang, Hezhu Shao +3
The intrinsic lattice thermal conductivity of MoS is an important aspect in the design of MoS-based nanoelectronic devices. We investigate the lattice dynamics properties o…
Low lattice thermal conductivity of stanene
Bo Peng, Hao Zhang, Hezhu Shao +3
A fundamental understanding of phonon transport in stanene is crucial to predict the thermal performance in potential stanene-based devices. By combining first-principle calculatio…