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Theoretical exploration of band gap error dependency on band gap size in density functional theory Calculations: CdTe and GeTe as representative cases of two band structure semiconductor types

Qingde Sun, Yuan Yin

2024Computational Materials Science17 citationsDOI

Topics & Concepts

Band gapSemiconductorDensity functional theoryElectronic band structureDependency (UML)Cadmium telluride photovoltaicsMaterials scienceWide-bandgap semiconductorDirect and indirect band gapsOptoelectronicsCondensed matter physicsPhysicsQuantum mechanicsComputer scienceSoftware engineeringAdvanced Semiconductor Detectors and MaterialsChalcogenide Semiconductor Thin FilmsSemiconductor Quantum Structures and Devices
Theoretical exploration of band gap error dependency on band gap size in density functional theory Calculations: CdTe and GeTe as representative cases of two band structure semiconductor types | Litcius