First-principles calculations to investigate structural, electronic, phonon, magnetic and thermal properties of stable halide perovskite semiconductors Cs2GeMnI6 and Cs2GeNiI6
Saveer Ahmad Khandy, Thamraa Alshahrani, H.I. Elsaeedy, Dinesh C. Gupta
Topics & Concepts
Density functional theoryHalideCondensed matter physicsPhononPerovskite (structure)Perturbation theory (quantum mechanics)Structural stabilityContext (archaeology)Ground stateMagnetic momentChemistrySemiconductorPhysicsComputational chemistryQuantum mechanicsCrystallographyStructural engineeringEngineeringInorganic chemistryBiologyPaleontologyPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and Devices