Insight into the role of weak interactions on optoelectronic properties of LiGaTe2-chalcopyrite under pressure effect: DFT-D3, NCI and QTAIM investigations
Mohammed Bendjemai, H. Bouafia, B. Sahli, A. Dorbane, Ş. Uğur, G. Uğur, S. Mokrane
Topics & Concepts
Hydrostatic pressureIonic bondingCovalent bondChalcopyriteHydrostatic equilibriumChemical physicsDensity functional theoryMaterials scienceChemistryComputational chemistryThermodynamicsIonPhysicsMetallurgyCopperOrganic chemistryQuantum mechanicsChalcogenide Semiconductor Thin FilmsHeusler alloys: electronic and magnetic propertiesInorganic Chemistry and Materials