Computationally predicted energies and properties of defects
N. A. Ismayilova, S. G. Asadullayeva
Topics & Concepts
Work (physics)Band gapVacancy defectLocal-density approximationImpurityHybrid functionalEnergy (signal processing)Density functional theoryStatistical physicsMaterials sciencePhysicsComputational physicsCondensed matter physicsQuantum mechanicsSemiconductor materials and interfacesSemiconductor materials and devicesIon-surface interactions and analysis