First principles exploration of structural stability, optoelectronic and thermoelectric properties of BaXO3 (X = Hf, Ti, V) for solar cell applications
Ejaz Ahmad Khera, Abrar Nazir, Mumtaz Manzoor, Muzna Ayub, Fayyaz Hussain, Bandar Ali Al‐Asbahi, Ramesh Sharma
Topics & Concepts
Materials scienceThermoelectric effectBand gapDensity functional theorySolar cellSeebeck coefficientDensity of statesOptoelectronicsElectronic band structureDirect and indirect band gapsThermoelectric materialsElectronic structureValence (chemistry)Condensed matter physicsComputational chemistryThermal conductivityThermodynamicsChemistryPhysicsComposite materialOrganic chemistryChalcogenide Semiconductor Thin FilmsPerovskite Materials and ApplicationsAdvanced Semiconductor Detectors and Materials