output
20052026
most citedFirst-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials

351 citations

Showing 2021 · cond-mat.mtrl-sciShow all

9 papers · 2 filters

cond-mat.mtrl-sci2021★ 15 cited

Commensurate stacking phase transitions in an intercalated transition metal dichalcogenide

Xiaohui Yang, Jin-Ke Bao, Zhefeng Lou +17

Intercalation and stacking order modulation are two active ways in manipulating the interlayer interaction of transition metal dichalcogenides (TMDCs), which lead to a variety of e…

cond-mat.mtrl-sci2021★ 46 cited

Spin Polarization through A Molecular Junction Based on Nuclear Berry Curvature Effects

Hung-Hsuan Teh, Wenjie Dou, Joseph E. Subotnik

We explore the effects of spin-orbit coupling on nuclear wave packet motion near an out-of-equilibrium molecular junction, where nonzero Berry curvature emerges as the antisymmetri…

cond-mat.mtrl-sci2021★ 1 cited

Accurate force field of two-dimensional ferroelectrics from deep learning

Jing Wu, Liyi Bai, Jiawei Huang +3

The discovery of two-dimensional (2D) ferroelectrics with switchable out-of-plane polarization such as monolayer -InSe offers a new avenue for ultrathin high-density fer…

cond-mat.mtrl-sci2021★ 8 cited

Coupling between Antiferromagnetic and Spin Glass Orders in the Quasi-One-Dimensional Iron Telluride TaFeTe (=0.25)

Y. Liu, J. J. Bao, C. Q. Xu +13

Understanding the interplay among different magnetic exchange interactions and its physical consequences, especially in the presence of itinerant electrons and disorders, remains o…

cond-mat.mtrl-sci2021★ 19 cited

Thermoelectric properties of Bi2O2Se single crystals

Jialu Wang, Wanghua Hu, Zhefeng Lou +4

Bismuth oxyselenide (BiOSe) attracts great interest as a potential n-type complement to p-type thermoelectric oxides in practical applications. Previous investigations were…

cond-mat.mtrl-sci2021★ 61 cited

Giant modulation of the electron mobility in semiconductor BiOSe via incipient ferroelectric phase transition

Ziye Zhu, Xiaoping Yao, Shu Zhao +2

High-mobility layered semiconductors have the potential to enable the next-generation electronics and computing. This paper demonstrates that the ultrahigh electron mobility observ…

cond-mat.mtrl-sci2021★ 20 cited

Two-dimensional multiferroic metal with voltage-tunable magnetization and metallicity

Xu Duan, Jiawei Huang, Bin Xu +1

We design a multiferroic metal that combines seemingly incompatible ferromagnetism, ferroelectricity, and metallicity by hole doping a two-dimensional (2D) ferroelectric with high…

cond-mat.mtrl-sci2021★ 17 cited

Huge permittivity and premature metallicity in BiOSe single crystals

Zhuokai Xu, Jialu Wang, Tao Wang +3

BiOSe is a promising material for next-generation semiconducting electronics. It exhibits premature metallicity on the introduction of a tiny amount of electrons, the physi…

cond-mat.mtrl-sci2021

An Antisymmetric Berry Frictional Force At Equilibrium in the Presence of Spin-Orbit Coupling

Hung-Hsuan Teh, Wenjie Dou, Joseph E. Subotnik

We analytically calculate the electronic friction tensor for a molecule near a metal surface in the case that the electronic Hamiltonian is complex-valued, e.g. the case that there…