Theoretical investigation of the structural, elastic, electronic, and optical properties of the ternary tetragonal tellurides KBTe2 (B = Al, In)
M. Bouchenafa, A. Benmakhlouf, Mohamed Sidoumou, A. Bouhemadou, S. Maabed, Mohamed Halit, A. Bentabet, S. Bin‐Omran, R. Khenata, Y. Al‐Douri
Topics & Concepts
Materials scienceTetragonal crystal systemTernary operationAnisotropyBand gapDensity functional theoryAb initioElectronic band structureRefractive indexCondensed matter physicsDirect and indirect band gapsElectronic structureCharge densitySemiconductorDensity of statesAb initio quantum chemistry methodsMolecular physicsCrystallographyComputational chemistryOpticsChemistryCrystal structureMoleculeOptoelectronicsPhysicsComputer scienceOrganic chemistryProgramming languageQuantum mechanicsInorganic Chemistry and MaterialsChalcogenide Semiconductor Thin FilmsCrystal Structures and Properties