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Exploring Rb2YCuCl6 and Cs2YCuCl6 double perovskites: Structural, electronic, optical, elastic, and thermoelectric properties via density functional theory

Amjad Ali Khan, Muhammad Saeed, Aijaz Rasool Chaudhry, Muhammad Awais Jehangir, Muhammad Ibrar, G. Murtaza

2024Solid State Communications13 citationsDOI

Topics & Concepts

Density functional theoryThermoelectric effectCondensed matter physicsMaterials scienceThermoelectric materialsChemistryPhysicsThermodynamicsComputational chemistryPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and Devices
Exploring Rb2YCuCl6 and Cs2YCuCl6 double perovskites: Structural, electronic, optical, elastic, and thermoelectric properties via density functional theory | Litcius