6.2k citations · 14.5k across the 96 of their papers we have counts for
96 papers
Identification of a Low Energy Metastable 1-Type Phase for Monolayer VSe2
Bing-Hua Lei, David J. Singh
Elucidating the polymorphism of transition metal dichalcogenide layers and the interplay between structure and properties is a key challenge for the application of these materials.…
Ferromagnetism in a Semiconductor with Mobile Carriers via Low-Level Nonmagnetic Doping
Bing-Hua Lei, David J. Singh
We show that doped cubic iron pyrite, which is a diamagnetic semiconductor, becomes ferromagnetic when -type doped. We furthermore find that this material can exhibit high spin…
Dirac Fermion Cloning, Moir Flat Bands and Magic Lattice Constants in Epitaxial Monolayer Graphene
Qiangsheng Lu, Ching-Kai Chiu, Congcong Le +10
Tuning interactions between Dirac states in graphene has attracted enormous interest because it can modify the electronic spectrum of the two-dimensional material, enhance electron…
K2Mo3As3 is a Multi-Gap Electron-Phonon Superconductor
Bing-Hua Lei, David J. Singh
We show using density functional calculations that quasi-one-dimensional K2Mo3As3, which is closely related to the K2Cr3As3 and has very similar superconducting properties, is not…
Shortcomings of meta-GGA functionals when describing magnetism
Fabien Tran, Guillaume Baudesson, Jesús Carrete +4
Several recent studies have shown that SCAN, a functional belonging to the meta-generalized gradient approximation (MGGA) family, leads to significantly overestimated magnetic mome…
Prediction of superconductivity and topological aspects in single-layer -BiPd
Peng-Fei Liu, Jingyu Li, Xin-Hai Tu +5
Topological superconductors, characterized by topologically nontrivial states residing in a superconducting gap, are a recently discovered class of materials having Majorana Fermio…