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Unveiling the Multifunctional Properties of SrWN₃ Nitride Perovskite: A DFT Study on Structural, Electronic, Optical, Thermoelectric, and Thermodynamic Properties for Next-Generation Energy Applications

Nisha Mahepal, Trilok Akhani, Mitesh B. Solanki, Bhavik Thacker

2025Computational and Theoretical Chemistry8 citationsDOI

Topics & Concepts

ChemistryBand gapThermoelectric effectPhononPerovskite (structure)Debye modelSemiconductorThermal conductivityCondensed matter physicsDielectricNitrideThermoelectric materialsElectronic band structureAbsorption (acoustics)Density functional theoryDirect and indirect band gapsDebyeTriclinic crystal systemOptical conductivityHeat capacityAbsorption spectroscopyResonance (particle physics)Chemical physicsOptoelectronicsSurface plasmon resonanceWide-bandgap semiconductorPermittivityThermal stabilityDensity of statesConductivityPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivityInorganic Chemistry and Materials
Unveiling the Multifunctional Properties of SrWN₃ Nitride Perovskite: A DFT Study on Structural, Electronic, Optical, Thermoelectric, and Thermodynamic Properties for Next-Generation Energy Applications | Litcius