Mostrando 3 resultados de: 3
Subtipo de publicación
Article(3)
Density functional theory study of Al-doped hematite
ArticleAbstract: Using first-principles density functional theory calculations within the generalized gradient approxPalabras claves:Autores:A. Stashans, H. Pinto, Henry P. Pinto, L. Piedra, Lorena Piedra, R. Rivera Escobar, Richard Rivera, Stashans A.Fuentes:googlerraaescopusFirst-principles investigation of Fe-doped MgSiO 3-ilmenite
ArticleAbstract: First principles density functional theory and generalised gradient approximation (GGA) have been exPalabras claves:Electronic and optical propertiesAutores:A. Stashans, H. Pinto, K RiveraFuentes:rraaeElectronic structure, chemical bonding, and geometry of pure and Sr-doped CaCO3
ArticleAbstract: The electronic structure, chemical bonding, geometry, and effects produced by Sr-doping in CaCO3 havPalabras claves:CaCO 3Autores:A. Stashans, G. Chamba, H. PintoFuentes:rraae