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Microstructure and optical properties of α - Fe<inf>2</inf> O<inf>3</inf> containing F-centres
ArticleAbstract: Effects produced in the hematite (α-Fe2O3) crystal due to the presence of F-centre are reported in tPalabras claves:Electronic properties, F-centre, Hartree-Fock method, hematite, optical properties, Structure, α-Fe O 2 3Autores:González S., Richard Rivera, Stashans A.Fuentes:scopusPeriodic DFT study of molecular crystals
Conference ObjectAbstract: Two molecular crystals have been studied using the first-principles density functional theory calculPalabras claves:DFT, Electronic properties, molecular crystals, StructureAutores:A. Stashans, Castillo P., D. Castillo Malla, R. Rivera Escobar, Richard Rivera, Soraya Jácome, Stashans A.Fuentes:rraaescopusQuantum chemical study of point defects in tin dioxide
Conference ObjectAbstract: First-principles calculations based on the density functional theory (DFT) within the generalized grPalabras claves:., Electrical conductivity, Electronic properties, impurity doping, MicrostructureAutores:A. Stashans, Alexander Chamba, Ing. Quím. Freddy Marcillo Rivadeneira, L. Puchaicela Huaca, Patricio Puchaicela, R. Rivera Escobar, Richard Rivera, Stashans A.Fuentes:rraaescopusStructure, electronic and magnetic properties of Ca-doped chromium oxide studied by the DFT method
ArticleAbstract: Using first-principles density functional theory calculations within the generalised gradient approxPalabras claves:Ca-doping, DFT method, Electronic properties, magnetism, Structure, α-Cr O 2 3Autores:A. Stashans, F. Maldonado, Frank Maldonado, R. Rivera Escobar, Richard Rivera, Stashans A.Fuentes:googlerraaescopusTi-doped α-Fe<inf>2</inf>O<inf>3</inf> by quantum-chemical modeling
ArticleAbstract: Structure and electronic properties of Ti-doped hematite (α-Fe 2O3) crystal have been studied usingPalabras claves:Electronic properties, Structure, Ti-doping, α-Fe O 2 3Autores:Richard Rivera, Stashans A.Fuentes:scopus