Effects of the vacancy and doping on the electronic and magnetic characteristics of ZrSe2 monolayer: A first-principles investigation
Xiangyu Gao, Jian‐Min Zhang, Anwar Ali, Xiumei Wei, Yuhong Huang
Topics & Concepts
Vacancy defectMagnetic momentMagnetismAtom (system on chip)DopingMonolayerDensity functional theoryCondensed matter physicsMaterials scienceTransition metalUnpaired electronMagnetic semiconductorMetalElectronCrystallographyChemistryComputational chemistryNanotechnologyPhysicsMetallurgyCatalysisComputer scienceEmbedded systemBiochemistryQuantum mechanics2D Materials and ApplicationsMXene and MAX Phase MaterialsPerovskite Materials and Applications