162 citations · 401 across the 12 of their papers we have counts for
12 papers
Computational studies on magnetism and ferroelectricity
Ke Xu, Junsheng Feng, Hongjun Xiang
Magnetics, ferroelectrics and multiferroics have attracted great attentions because they are not only extremely important for investigating fundamental physics, but also have impor…
Intrinsic one-dimensional conducting channels in the Kondo insulator SmB6
Ke-Jun Xu, Mark Barber, Eric Yue Ma +5
Since its discovery as a Kondo insulator 50 years ago, SmB6 recently received a revival of interest due to detection of unexpected quantum oscillations in the insulating state, dis…
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…
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…
Thermal transport properties of single-layer black phosphorous from extensive molecular dynamics simulations
Ke Xu, Zheyong Fan, Jicheng Zhang +2
We compute the anisotropic in-plane thermal conductivity of suspended single-layer black phosphorous (SLBP) using three molecular dynamics (MD) based methods, including the equilib…
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…
Two-Dimensional Hyperferroelectric Metals: a Different Route to Ferromagnetic-Ferroelectric Multiferroics
Wei Luo, Ke Xu, Hongjun Xiang
Recently, two-dimensional (2D) multiferroics have attracted numerous attention due to their fascinating properties and promising applications. Although the ferroelectric (FE)-ferro…
Coupling of evanescent waves into propagation channels within two-dimensional random waveguides
Dequan Zhang, Yuchen Xu, Ke Xu +4
The transformation from evanescent waves to propagation waves is the key mechanism for the realization of some super-resolution imaging methods. By using the recursive Green functi…
Designing New Improper Ferroelectrics with a General Strategy
Ke Xu, Xue-Zeng Lu, H. J. Xiang
The presence of a switchable spontaneous electric polarization makes ferroelectrics ideal candidates for the use in many applications such as memory and sensors devices. Since know…
Structure and Composition of the 200 K-Superconducting Phase of H2S under Ultrahigh Pressure: The Perovskite (SH-)(H3S+)
Elijah E. Gordon§, Ke Xu§, Hongjun Xiang +5
H2S is converted under ultrahigh pressure (> 110 GPa) to a metallic phase that becomes superconducting with a record Tc of 200 K. It has been proposed that the superconducting phas…
Unusual Ferroelectricity Induced by the Jahn-Teller Effect: A Case Study on Lacunar Spinel Compounds
Ke Xu, H. J. Xiang
The Jahn-Teller effect refers to the symmetry-lowering geometrical distortion in a crystal (or non-linear molecule) due to the presence of a degenerate electronic state. Usually, t…