Comprehensive study of structural, elastic, electronic, optical, and thermoelectric properties of Rb2NaTlZ6 (Z = Cl, Br, and I) by DFT
Syed Hatim Shah, Peng Song, Taihong Huang, Shakeel Shakeel, Shamim Khan, Muhammad Waqar Ashraf, G. Murtaza
Topics & Concepts
Materials scienceBand gapThermoelectric effectElectronic band structureAbsorption (acoustics)Density functional theoryCondensed matter physicsDirect and indirect band gapsAnisotropyAbsorption spectroscopyRefractive indexOptoelectronicsOpticsThermodynamicsComputational chemistryComposite materialChemistryPhysicsPerovskite Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin Films