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Article(4)
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Chemical Physics(1)
Chinese Journal of Chemistry(1)
Modern Physics Letters B(1)
Physica B: Condensed Matter(1)
Change in the electrical conductivity of SnO2 crystal from n-type to p-type conductivity
ArticleAbstract: The long-sought fully transparent technology will not come true if the n region of the p-n junctionPalabras claves:Crystal structureAutores:A. Stashans, C. Liu, L. Villamagua Conza, M. Carini, P. Lee, Y. LiuFuentes:rraaeFundamental and excited states of F-type centres in MgSiO3 perovskite
ArticleAbstract: Quantum-chemical modelling based on the HartreeFock methodology and a periodic supercell model is doPalabras claves:Crystal structureAutores:A. Stashans, L. Piedra, T. BricenoFuentes:rraaeIron impurity in zircon by DFT computations
ArticleAbstract: A single Fe impurity impact on the properties of ZrSiO4 low pressure phase (zircon) has been addressPalabras claves:Crystal structure, DFT + U, electronic and magnetic properties, zirconAutores:A. Stashans, Krupskaya Rivera, Stashans A.Fuentes:rraaescopusStructure, electronic properties and chemical bonding in bis(1H-imidazolium-KN3)silver(I) nitrate from periodic DFT computations
ArticleAbstract: Using the first-principles density functional theory calculations within the generalized gradient apPalabras claves:chemical bonding, Crystal structure, density functional theory, Electronic propertiesAutores:A. Stashans, S JacomeFuentes:rraae