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Please use this identifier to cite or link to this item: https://ri.ufs.br/jspui/handle/riufs/24591
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dc.contributor.authorSantos, Ricardo Daniel Soares-
dc.contributor.authorRezende, Marcos Vinícius dos Santos-
dc.date.accessioned2026-02-13T19:41:41Z-
dc.date.available2026-02-13T19:41:41Z-
dc.date.issued2014-
dc.identifier.citationSANTOS, R. D. S.; REZENDE, M. V. S. Atomistic simulation of intrinsic defects and trivalentand tetravalent ion doping in hydroxyapatite. Advances in Condensed Matter Physics, New York, n. 1, 2014. Disponível em: https://onlinelibrary.wiley.com/doi/10.1155/2014/609024. Acesso em: 13 fev. 2026.pt_BR
dc.identifier.issn1687-8124-
dc.identifier.urihttps://ri.ufs.br/jspui/handle/riufs/24591-
dc.languageengpt_BR
dc.publisherHindawi Publishing Corporationpt_BR
dc.relation.ispartofAdvances in Condensed Matter Physicspt_BR
dc.subjectHydroxyapatiteeng
dc.subjectAtomistic simulationeng
dc.subjectHydroxyl vacancieseng
dc.subjectAtomistic Simulationeng
dc.titleAtomistic simulation of intrinsic defects and trivalentand tetravalent ion doping in hydroxyapatitept_BR
dc.typeArtigopt_BR
dc.identifier.licenseCreative Commons Atribuição 3.0 Não Adaptada (CC BY 3.0)pt_BR
dc.description.resumoAtomistic simulation techniques have been employed in order to investigate key issues related to intrinsic defects and a variety ofdopants from trivalent and tetravalent ions. The most favorable intrinsic defect is determined to be a scheme involving calciumand hydroxyl vacancies. It is found that trivalent ions have an energetic preference for the Ca site, while tetravalent ions can enter Psites. Charge compensation is predicted to occur basically via three schemes. In general, the charge compensation via the formationof calcium vacancies is more favorable. Trivalent dopant ions are more stable than tetravalent dopants.pt_BR
dc.description.localNew Yorkpt_BR
dc.identifier.doihttps://doi.org/10.1155/2014/609024-
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