First principles electronic structure, molecular dynamics, and optical properties of GaOF monolayer without and with defects
Mohamed Barhoumi, Imen Said, S. Bouzidi, M. Saïd
Topics & Concepts
Materials scienceBand gapSemiconductorVacancy defectMonolayerDensity functional theoryCrystal (programming language)Electronic structureDirect and indirect band gapsCrystallographic defectChemical physicsOptoelectronicsElectronic band structureLaserCondensed matter physicsNanotechnologyOpticsChemistryComputational chemistryComputer sciencePhysicsProgramming languageGa2O3 and related materials2D Materials and ApplicationsZnO doping and properties