Please use this identifier to cite or link to this item: http://dspace.utpl.edu.ec/jspui/handle/123456789/19196
Full metadata record
DC FieldValueLanguage
dc.contributor.authorRivera Escobar, R.es_ES
dc.contributor.authorStashans, A.es_ES
dc.contributor.authorPuchaicela Huaca, L.es_ES
dc.date.accessioned2017-06-16T22:03:07Z-
dc.date.available2017-06-16T22:03:07Z-
dc.date.issued2013-01-01es_ES
dc.date.submitted28/03/2013es_ES
dc.identifierdoies_ES
dc.identifier.isbn20780958es_ES
dc.identifier.issn9.79E+17es_ES
dc.identifier.otherdoies_ES
dc.identifier.urihttp://dspace.utpl.edu.ec/handle/123456789/19196-
dc.description.abstractAbstract�First-principles calculations based on the Density Functional Theory (DFT) within the generalized gradient approximation (GGA), and the introduction of intra-atomic interaction term for strongly correlated electrons (DFT+U), have been utilized to study defective SnO2 crystals. Introduction of some impurities, such as F, Ga, Al and Cr affect the structural, electronic and magnetic properties of tin dioxide. F doping produces alterations in the structure, with Sn atoms moving away from the impurity and O atoms moving closer to it; and, the system presents n-type electrical conductivity. Ga impurity incorporation distorts its surrounding, with the atoms moving closer to the impurity whereas the electrical properties of crystal remain unchanged. Results for Al impurity are almost the same as those for the Ga-doping. Cr-doping produces the atoms in the neighbourhood of the point defect to move towards it, the band gap has been slightly reduced and we observe the occurrence of a local magnetic moment. Index Terms�SnO2, Impurity doping, DFT, point defects.es_ES
dc.languageIngléses_ES
dc.subjectDFTes_ES
dc.titleSnO2 Physical and Chemical Properties due to the impurity dopinges_ES
dc.typeArticlees_ES
dc.publisherLecture Notes in Engineering and Computer Sciencees_ES
Appears in Collections:Artículos de revistas Científicas



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.