Bienvenido al Repositorio Institucional de la UTPL (RiUTPL) que tiene como propósito centralizar los recursos educativos y objetos de aprendizaje generados por la comunidad académica;
este repositorio permitirá preservar, organizar y visibilizar la producción institucional
bajo la licencia Creative Commons 4.0.
Bitte benutzen Sie diese Kennung, um auf die Ressource zu verweisen:
http://dspace.utpl.edu.ec/handle/123456789/19213| Titel: | A quantum-chemical study of oxygen-vacancy defects in PbTiO3 crystals |
| Autor(en): | Stashans, A. Serrano, S. Medina, P. |
| Stichwörter: | Electronic structure |
| Erscheinungsdatum: | 31-Mai-2006 |
| Herausgeber: | Physica B: Condensed Matter |
| Zusammenfassung: | Investigation of an oxygen vacancy and F center in the cubic and tetragonal lattices of PbTiO3 crystals is done by means of quantum-chemical simulations. Displacements of defect-surrounding atoms, electronic and optical properties, lattice relaxation energies and some new effects due to the defects presence are reported and analyzed. A comparison with similar studies is made and conclusions are drawn on the basis of the obtained results. © 2006 Elsevier B.V. All rights reserved. |
| Identifier : | 10.1016/j.physb.2005.12.257 |
| URI: | http://dspace.utpl.edu.ec/handle/123456789/19213 |
| ISBN: | 9214526 |
| Sonstige Kennungen: | 10.1016/j.physb.2005.12.257 |
| metadata.dc.language: | Inglés |
| Type: | Article |
| Enthalten in den Sammlungen: | Artículos de revistas Científicas |
Dateien zu dieser Ressource:
Alle Ressourcen in diesem Repository sind urheberrechtlich geschützt.