Ground-state properties of p-type delafossite transparent conducting oxides 2H-CuMO2 (M=Al, Sc and Y): DFT calculations
Moufdi Hadjab, Olga Guskova, Hamza Bennacer, Mohamed Issam Ziane, Abderrahim Hadj Larbi, M. A. Saeed
Topics & Concepts
DelafossiteWIEN2kDensity functional theoryMaterials scienceTernary operationLocal-density approximationGround stateElectronic structureCondensed matter physicsOxideComputational chemistryQuantum mechanicsPhysicsComputer scienceMetallurgyChemistryProgramming languageCopper-based nanomaterials and applicationsZnO doping and propertiesChalcogenide Semiconductor Thin Films