Theoretical study of electronic, magnetic, optical and thermoelectric properties of XMnO2 (X=Au, Ag, Cu) oxides by DFT
Khawar Ismail, G. Murtaza, Shaista Tahir, Ghazanfar Nazir, Nessrin A. Kattan, Hind Albalawi, Bakhtiar Ul Haq, Manal Morsi
Topics & Concepts
Seebeck coefficientThermoelectric effectBand gapMaterials scienceMonoclinic crystal systemDielectricFerromagnetismCondensed matter physicsDensity functional theoryElectronic structureAbsorption (acoustics)Direct and indirect band gapsElectronic band structureCrystal structureOptoelectronicsChemistryCrystallographyThermodynamicsComputational chemistryPhysicsComposite materialCopper-based nanomaterials and applicationsZnO doping and propertiesChalcogenide Semiconductor Thin Films