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Local structure, magnetic and electronic properties of N-doped α-Cr<inf>2</inf>O<inf>3</inf> from the first-principles
ArticleAbstract: First-principles calculations based on the density functional theory (DFT) within the generalized grPalabras claves:DFT, Electronic properties, Local structure, magnetism, N-doping, α-Cr O 2 3Autores:Soraya Jácome, Stashans A.Fuentes:scopusQuantum-chemical study of nitrogen and magnesium co-doping in α-Cr<inf>2</inf>O<inf>3</inf>
ArticleAbstract: Study of corundum-type chromium oxide (α-Cr2O3) crystal doped with the nitrogen and magnesium impuriPalabras claves:dft+u, magnetism, Microstructure, p-type conductivity, α-Cr O 2 3Autores:Soraya Jácome, Stashans A.Fuentes:scopus