Ab initio analysis of structural, optoelectronic, thermoelectric, and elastic characteristics of K2MBiBr6 (M = Na, Ag, and Cu) for green energy
M. Basit Shakir, G. Murtaza, Ahmad Ayyaz, Hummaira Khan, Hafiz Irfan Ali, Maryam Touqir
Topics & Concepts
Materials scienceAb initioThermoelectric effectOptoelectronicsEnergy (signal processing)Ab initio quantum chemistry methodsCondensed matter physicsPhysicsThermodynamicsQuantum mechanicsMoleculeHeusler alloys: electronic and magnetic propertiesInorganic Chemistry and MaterialsLuminescence Properties of Advanced Materials