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First principle study on electronic structure, elastic properties and debye temperature of pure and doped KCaF3

Xing Liu, Jia Fu

2020Vacuum54 citationsDOI

Topics & Concepts

Condensed matter physicsMaterials scienceBand gapDopingDirect and indirect band gapsShear modulusDebye modelDensity functional theorySemiconductorElectronic band structureSupercellDopantAnisotropyBulk modulusElectronic structureComputational chemistryChemistryComposite materialOpticsOptoelectronicsPhysicsThunderstormMeteorologyAcoustic Wave Resonator TechnologiesMXene and MAX Phase MaterialsZnO doping and properties
First principle study on electronic structure, elastic properties and debye temperature of pure and doped KCaF3 | Litcius