308 citations · 789 across the 18 of their papers we have counts for
18 papers
Strain-induced interlayer magnetic coupling spike of two-dimensional van der Waals material FeGeTe
Wen-Qiang Xie, Chang-Chun He, Xiao-Bao Yang +2
A stronger interlayer magnetic coupling (ILMC) can open up new opportunities in spintronics devices for FeGeTe (F5GT), a demonstrated two-dimensional (2D) van der Waals (vd…
Friedel oscillations and helium bubble ordering in molybdenum
W. T. Geng, Q. Zhan
Helium ions implanted into metals can evolve into ordered bubbles isomorphic to the host lattice. Long-range elastic interaction is generally believed to drive the formation of bub…
Angle-dependence of interlayer coupling in twisted transition metal dichalcogenide heterobilayers
W. T. Geng, V. Wang, J. B. Lin +2
We reveal by first-principles calculations that the interlayer binding in a twisted MoS2/MoTe2 heterobilayer decreases with increasing twist angle, due to the increase of the inter…
Moiré potential, lattice corrugation, and band gap spatial variation in a twist-free MoS2/MoTe2 heterobilayer
W. T. Geng, V. Wang, Y. C. Liu +2
To have a fully ab initio description of the Moiré pattern in a transition metal dichalcogenide heterobilayer, we have carried out density functional theory calculations, taking ac…
One-for-multiple substitution in solid solutions
W. T. Geng, Q. Zhan
It is generally assumed that one solute atom will occupy only one lattice site in a substitutional solid solution. We here report an interesting discovery by first-principles calcu…
High-Throughput Computational Screening of Two-Dimensional Semiconductors
Vei Wang, Gang Tang, Ren-Tao Wang +5
By performing high-throughput first-principles calculations combined with a semiempirical van der Waals dispersion correction, we have screened 74 direct- and 185 indirect-gap two…