Optoelectronic and thermodynamic properties, infrared and Raman spectra of NbO2 and Nb2O5 from DFT formalism
R.C. Carvalho, M.E.V. Mendonça, Marcio S. Tavares, Edvan Moreira, David L. Azevedo
Topics & Concepts
Density functional theoryBand gapInfraredLocal-density approximationMaterials scienceDensity of statesRaman spectroscopyAb initioNiobiumChemistryCondensed matter physicsComputational chemistryOptoelectronicsOpticsPhysicsMetallurgyOrganic chemistryTransition Metal Oxide NanomaterialsSemiconductor materials and devicesCatalysis and Oxidation Reactions