82 citations · 319 across the 11 of their papers we have counts for
8 papers · 1 filter
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…
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…
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…
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…
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…
Combined sub-sampling and analytical integration for efficient large-scale calculations for 2D systems
Weiyi Xia, Weiwei Gao, Gabriel Lopez-Candales +4
Accurate and efficient predictions of the quasiparticle properties of complex materials remain a major challenge due to the convergence issue and the unfavorable scaling of the com…
Prediction of intrinsic ferroelectricity and large piezoelectricity in monolayer arsenic chalcogenides
Weiwei Gao, James R Chelikowsky
Two-dimensional materials that exhibit spontaneous electric polarization are of notable interest for functional materials. However, despite many two-dimensional polar materials are…
False Prediction of Fundamental Properties of Metals by Hybrid Functionals
Weiwei Gao, Tesfaye A. Abtew, Tianyi Cai +3
The repercussions of an inaccurate account of electronic states near the Fermi level EF by hybrid functionals in predicting several important metallic properties are investigated.…