Oxygen-vacancy defects on BaTiO3 (001) surface: a quantum chemical study
- Author
- DUQUE, Carlos1 ; STASHANS, Arvids1
[1] Centro de Investigación en Fisica de la Materia Condensada, Corporación de Física Fundamental y Aplicada, Apartado 17-12-637, Quito, Ecuador - Source
Physica. B, Condensed matter. 2003, Vol 336, Num 3-4, pp 227-235, 9 p ; ref : 46 ref
- ISSN
- 0921-4526
- Scientific domain
- Crystallography; Condensed state physics
- Publisher
- Elsevier, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Author keyword
- (001) surface BaTiO3 Oxygen-vacancy defects Quantum-chemical study
- Keyword (fr)
- Arrangement atomique Baryum titanate Calcul Hartree Fock Centre F Chimie quantique Défaut cristallin Défaut surface Déplacement atomique Etude théorique Face cristalline Lacune Modélisation Piégeage porteur charge Relaxation structurale Réseau cubique Réseau quadratique Ba O Ti BaTiO3 Composé minéral Métal transition composé
- Keyword (en)
- Atomic arrangement Barium titanates Hartree-Fock calculations F centers Quantum chemistry Crystal defects Surface defect Atomic displacements Theoretical study Crystal faces Vacancies Modelling Charge carrier trapping Structure relaxation Cubic lattices Tetragonal lattices Inorganic compounds Transition element compounds
- Keyword (es)
- Arreglo atómico Defecto superficie Captura portador carga Relajación estructural
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60H Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties) / 001B60H35 Solid surfaces and solid-solid interfaces / 001B60H35D Composition; defects and impurities
- Discipline
- Physics of condensed state : structure, mechanical and thermal properties
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 14989605
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1016/S0921-4526(03)00063-2 
https://dx.doi.org/10.1016/S0921-4526(03)00063-2
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