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Quantum chemical study of defective chromium oxide
Conference ObjectAbstract: Through the use of first-principles calculations based on the Density Functional Theory (DFT) withinPalabras claves:DFT, impurity doping, MicrostructureAutores:A. Stashans, Frank Maldonado, R. Rivera Escobar, Richard Rivera, Soraya Jácome, Stashans A.Fuentes:googlerraaescopusQuantum-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