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https://ri.ufs.br/jspui/handle/riufs/21556| Document Type: | Trabalhos em Eventos |
| Title: | Computer modelling of intrinsic defects and rare earth doping in KYF4, K2YF5 and KY3F10 |
| Authors: | Maddock, E. M. Jackson, R. A. Valerio, Mario Ernesto Giroldo |
| Issue Date: | 2010 |
| Resumo : | A computational study of KYF4, KY3F10 and K2YF5 is presented. Energy minimisation techniques have been used to obtain structural models of the materials and intrinsic defect calculations have been performed. Rare earth doping has been considered at all cation sites and solution energies are presented which show the preference of isovalent doping at the Y3+ site. |
| Keywords: | Computer modelling Intrinsic defects Rare earth doping |
| ISSN: | 1742-6596 1742-6588 |
| Is part of: | Journal of Physics: Conference Series |
| Language: | eng |
| Publisher / Institution : | IOP Publishing |
| Citation: | MADDOCK, E. M.; JACKSON, R. A.; VALERIO, M. E. G. Computer modelling of intrinsic defects and rare earth doping in KYF4, K2YF5 and KY3F10. Journal of Physics: Conference Series, v. 249, 2010. Trabalho apresentado em 16º International Conference on Defects in Insulating Materials, 2008, [Aracaju]. Disponível em: https://iopscience.iop.org/article/10.1088/1742-6596/249/1/012040/pdf. Acesso em: 4 abr. 2025. |
| License: | Creative Commons Atribuição 4.0 Internacional (CC BY 4.0) |
| URI: | https://ri.ufs.br/jspui/handle/riufs/21556 |
| Appears in Collections: | DFI - Artigos de periódicos DFI - Trabalhos apresentados em eventos |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| ComputerModellingIntrinsicDefects.pdf | 547,88 kB | Adobe PDF |  View/Open |
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