activity
20152023
most citedTowards Fully Converged GW Calculations for Large Systems

82 citations · 319 across the 11 of their papers we have counts for

collaborators

11 papers

cond-mat.mtrl-sci2023★ 15 cited

Sumanene monolayer of pure carbon: a two-dimensional Kagome-analogy lattice with desirable band gap, ultrahigh carrier mobility and strong exciton binding energy

Xiaoran Shi, Weiwei Gao, Hongsheng Liu +5

Design and synthesis of novel two-dimensional (2D) materials that possess robust structural stability and unusual physical properties may open up enormous opportunities for device…

cond-mat.mtrl-sci2023

Rich structural polymorphism of monolayer C60 from cluster rotation

Xueao Li, Fan Zhang, Xuefei Wang +2

The recent experimental fabrication of monolayer and few-layer C60 polymers paves the way for synthesizing two-dimensional cluster-assembled materials. Compared to atoms with the S…

physics.comp-ph2022★ 27 cited

Giant excitonic effects in bulk vacancy-ordered double perovskites

Fan Zhang, Weiwei Gao, Greis J. Cruz +3

Using first-principles GW plus Bethe-Salpeter equation calculations, we identify anomalously strong excitonic effects in several vacancy-ordered double perovskites Cs2MX6 (M = Ti,…

cond-mat.mtrl-sci2022★ 16 cited

Strong Dzyaloshinskii-Moriya Interaction in Monolayer CrI on Metal Substrates

Fan Zhang, Xueao Li, Yabei Wu +3

Dzyaloshinskii-Moriya interaction (DMI) is the primary mechanism for realizing real-space chiral spin textures, which are regarded as key components for the next-generation spintro…

cond-mat.mtrl-sci2022

Out-of-plane polarization and topological magnetic vortices in multiferroic CrPSe

Weiwei Gao, Jijun Zhao, James R. Chelikowsky

Two-dimensional (2D) multiferroic materials are ideal systems for exploring new coupling mechanisms between different ferroic orders and producing novel quantum phenomena with pote…

cond-mat.mtrl-sci2021★ 51 cited

Prediction of protected band edge states and dielectric tunable quasiparticle and excitonic properties of monolayer MoSiN

Yabei Wu, Zhao Tang, Weiyi Xia +6

The electronic structure of two-dimensional (2D) materials are inherently prone to environmental perturbations, which may pose significant challenges to their applications in elect…