An <i>ab initio</i> investigation of the structural, mechanical, electronic, optical, and thermoelectric characteristics of novel double perovskite halides Cs<sub>2</sub>CaSnX<sub>6</sub> (X = Cl, Br, I) for optically influenced RRAM devices
Saira Kiran, Umair Mumtaz, Aymen Mustafa, Muhammad Imran, Fayyaz Hussain, Umbreen Rasheed, R.M. Arif Khalil, Ejaz Ahmad Khera, Aalia Nazir
Abstract
Hybrid lead halide perovskites have been considered as promising candidates for a large variety of optoelectronic applications.
Topics & Concepts
HalideAb initioThermoelectric effectPerovskite (structure)Materials scienceAb initio quantum chemistry methodsElectronic structureCondensed matter physicsComputational chemistryCrystallographyMolecular physicsPhysical chemistryChemistryThermodynamicsInorganic chemistryPhysicsOrganic chemistryMoleculePerovskite Materials and Applications2D Materials and ApplicationsChalcogenide Semiconductor Thin Films