Structural and Electronic Calculations of CdTe Using DFT: Exchange–Correlation Functionals and DFT-1/2 Corrections
S. A. Pochareddy, Anthony P. Nicholson, Aan Thiyagarajan, Akash Shah, Walajabad Sampath
Topics & Concepts
Local-density approximationHybrid functionalCadmium telluride photovoltaicsBand gapDensity functional theoryLattice constantLattice (music)Electronic band structureMaterials scienceElectronic structureBasis (linear algebra)Ab initioPhysicsCondensed matter physicsMathematicsQuantum mechanicsNanotechnologyGeometryAcousticsDiffractionChalcogenide Semiconductor Thin FilmsAdvanced Semiconductor Detectors and MaterialsMachine Learning in Materials Science