In this work we applied to a series of oxyhalides crystals, namely, GdOBr, LaOI, GdOCl, LaOCl, YOCl and LaOBr, all doped ion Eu3 +, the point charge electrostatic model (PCEM), the simple overlap model (SOM) and method of equivalent nearest neighbors (MENN), with the objective of discussing the magnitude of the charges of the ions in this halogens series. Using the local structure of luminescent site, calculations were made of the crystal field parameters and splitting of the 7F1 level. The point charge electrostatic model, as expected, led to satisfactory predictions only from the qualitative point of view. The simple overlap model and the method gave satisfactory predictions to all quantities uce the experimental splitting energy level 7F1. It is shown that the effect of O2- ions is dominant in the calculation of crystal field parameters and charge factors of the halogens has been always smaller than those of O2- ions, although in some cases the NN charge factors was greater than the their valence, when the SOM is applied. This is not completely understood up to now. / Neste trabalho foram aplicados a uma serie de cristais oxihaletos, a saber, GdOBr, LaOI, GdOCl, LaOCl, YOCl e LaOBr, todos dopados com o ion Eu3+, o Modelo Eletrostatico de Cargas Pontuais, o Modelo de Recobrimento Simples e o Metodo dos Vizinhos Equivalentes, com o objetivo de discutir a magnitude das cargas dos ions halogenios nesta serie. Usando a estrutura local do sitio luminescente, foram feitos calculos de parametros do campo cristalino (Bkq) e do desdobramento do nivel 7F1 ( ´E). O modelo eletrostatico de cargas pontuais, como esperado, levou a resultados satisfatorios apenas do ponto de vista qualitativo. Ja com o modelo de recobrimento simples e com o metodo foi possivel reproduzir ´E. As previsoes mostram que o efeito dos ions O2- e dominante nas previsoes dos Bkq e ´E e os fatores de carga dos halogenios sao muito menores que os dos ions O2-, embora em alguns casos a carga dos primeiros vizinhos tenha sido maior que a valencia respectiva, quando o modelo de recobrimento simples e aplicado, o que ainda nao e completamente entendido.
| Identifer | oai:union.ndltd.org:IBICT/oai:ri.ufs.br:riufs/5284 |
| Date | 15 March 2013 |
| Creators | Portela, Irlan Marques Cunha |
| Contributors | Santos, Marcos Antonio Almeida |
| Publisher | Pós-Graduação em Física |
| Source Sets | IBICT Brazilian ETDs |
| Language | Portuguese |
| Detected Language | English |
| Type | info:eu-repo/semantics/publishedVersion, info:eu-repo/semantics/masterThesis |
| Format | application/pdf |
| Source | reponame:Repositório Institucional da UFS, instname:Universidade Federal de Sergipe, instacron:UFS |
| Rights | info:eu-repo/semantics/openAccess |
Page generated in 0.0017 seconds