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The use of nonlocal corrections and SCAN to compute the electronic, optical and thermoelectric properties of XCuF3(X = K, Rb)

Muhammad Ibrar Ahmed, Abu Bakar, Muhammad Ateeq Tahir, Rab Nawaz, Awad A. Ibraheem

2024Optik18 citationsDOI

Topics & Concepts

Thermoelectric effectBand gapDensity functional theoryPhononvan der Waals forceCondensed matter physicsPhysicsMaterials scienceQuantum mechanicsMoleculeHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic ConductivityAdvanced Thermoelectric Materials and Devices
The use of nonlocal corrections and SCAN to compute the electronic, optical and thermoelectric properties of XCuF3(X = K, Rb) | Litcius