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rraae(3)
DFT study of chromium-doped SnO2 materials
ArticleAbstract: Density functional theory (DFT) and generalised gradient approximation have been employed to study ePalabras claves:Autores:A. Stashans, L. Puchaicela Huaca, R. Rivera EscobarFuentes:rraaeFe-doped SnO2: A Quantum-chemical Approach
ArticleAbstract: We report first-principles results obtained on Fe impurity incorporation into the SnO2 material. DifPalabras claves:dft+u, impurity doping, magnetism, Microstructure, SnO2Autores:A. Stashans, L. Puchaicela HuacaFuentes:rraaeSnO2 Physical and Chemical Properties due to the impurity doping
ArticleAbstract: Abstract�First-principles calculations based on the Density Functional Theory (DFT) within the generPalabras claves:DFTAutores:A. Stashans, L. Puchaicela Huaca, R. Rivera EscobarFuentes:rraae