Structural, electronic, optical, elastic, thermodynamic and thermal transport properties of Cs<sub>2</sub>AgInCl<sub>6</sub> and Cs<sub>2</sub>AgSbCl<sub>6</sub> double perovskite semiconductors using a first-principles study
Keqing Zhang, Lijun Zhang, S.K.S. Saravana Karthikeyan, Chang Yi Kong, Fuchun Zhang, Xiang Guo, Nam Nguyen Dang, Sankar Ganesh Ramaraj, Xinghui Liu
Abstract
, respectively, at 300 K. It is foreseen that these outcomes will generate investigations concerning phosphors and diodes that rely on single emitters, with the aim of advancing lighting and display technologies in the forthcoming generations.
Topics & Concepts
Thermal conductivityBand gapSemiconductorDensity functional theoryRaman spectroscopyChemistryDebye modelConductivityThermodynamicsThermalPerovskite (structure)DiodeMaterials sciencePhysical chemistryOptoelectronicsComputational chemistryPhysicsOpticsCrystallographyPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallography