299 citations · 1k across the 22 of their papers we have counts for
12 papers · 1 filter
Tellurium sublattice instability driven amorphization in the chalcogenide AgSbTe2 under pressure
Baihong Sun, Zihan Zhang, Wei Luo +12
Pressure provides a powerful thermodynamic route to access hidden structural states in functional materials, yet the microscopic origin of pressure-induced amorphization remains el…
A New Two-Dimensional Dirac Semimetal Based on the Alkaline Earth Metal, CaP
Seoung-Hun Kang, Wei Luo, Sinchul Yeom +2
Using an evolutionary algorithm in combination with first-principles density functional theory calculations, we identify two-dimensional (2D) CaP monolayer as a new Dirac semim…
Cobalt-Based Magnetic Weyl Semimetals with High-Thermodynamic Stabilities
Wei Luo, Yuma Nakamura, Jinseon Park +1
Experiments identified Co3Sn2S2 as the first magnetic Weyl semimetal (MWSM). Using first-principles calculation with a global optimization approach, we explore the structural stabi…
Floquet band engineering and topological phase transitions in 1T' transition metal dichalcogenides
Xiangru Kong, Wei Luo, Linyang Li +3
Using ab initio tight-binding approaches, we investigate Floquet band engineering of the 1T' phase of transition metal dichalcogenides (MX2, M = W, Mo and X = Te, Se, S) monolayers…
Band splitting with vanishing spin polarizations in noncentrosymmetric crystals
Kai Liu, Wei Luo, Junyi Ji +3
The Dresselhaus and Rashba effects are well-known phenomena in solid-state physics, in which spin-orbit coupling (SOC) splits spin-up and spin-down energy bands of nonmagnetic non-…
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…
Prediction of High Temperature Quantum Anomalous Hall Effect in Two Dimensional Transition-Metal Oxides
H. P. Wang, Wei Luo, H. J. Xiang
Quantum anomalous Hall (QAH) insulator is a topological phase which exhibits chiral edge states in the absence of magnetic field. The celebrated Haldane model is the first example…
Two Dimensional Phosphorus Oxides as Energy and Information Materials
Wei Luo, Hongjun Xiang
Two-dimensional (2D) black phosphorus (i.e., phosphorene) has become a rising star in electronics. Recently, 2D phosphorus oxides with higher stability have been synthesized. In th…
Two-Dimensional Node-Line Semimetals in a Honeycomb-Kagome Lattice
J. L. Lu, W. Luo, X. Y. Li +4
Recently, the concept of topological insulators has been generalized to topological semimetals, including three-dimensional (3D) Weyl semimetals, 3D Dirac semimetals, and 3D node-l…
Room Temperature Quantum Spin Hall Insulators with a Buckled Square Lattice
Wei Luo, Hongjun Xiang
Two-dimensional (2D) topological insulators (TIs), also known as quantum spin Hall (QSH) insulators, are excellent candidates for coherent spin transport related applications becau…
Prediction of Silicon-Based Layered Structures for Optoelectronic Applications
Wei Luo, Yanming Ma, Xingao Gong +1
A method based on the particle swarm optimization (PSO) algorithm is presented to design quasi-two-dimensional (Q2D) materials. With this development, various single-layer and bi-l…
Single-layer MoS2 as efficient photocatalyst
Yunguo Li, Yan-ling Li, Carlos Moyses Araujo +2
The potential application of the single-layer MoS2 as photocatalyst was revealed in this work based on first-principles calculations. It is found that the pristine single-layer MoS…