Structural and electronic properties of ZnO: A first-principles density-functional theory study within LDA(GGA) and LDA(GGA)+U methods
Vusala Nabi Jafarova, Г. С. Оруджев
Topics & Concepts
PseudopotentialDensity functional theoryBrillouin zoneLocal-density approximationCondensed matter physicsWurtzite crystal structureElectronic band structureElectronic structureBand gapPlane waveMaterials sciencePhysicsQuantum mechanicsDiffractionZnO doping and propertiesCopper-based nanomaterials and applicationsGas Sensing Nanomaterials and Sensors