Atomistic Simulation of Intrinsic Defects and Trivalent and Tetravalent Ion Doping in Hydroxyapatite
Joint Authors
Santos, Ricardo D. S.
Rezende, Marcos V. dos S.
Source
Advances in Condensed Matter Physics
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-8, 8 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-10-12
Country of Publication
Egypt
No. of Pages
8
Main Subjects
Abstract EN
Atomistic simulation techniques have been employed in order to investigate key issues related to intrinsic defects and a variety of dopants from trivalent and tetravalent ions.
The most favorable intrinsic defect is determined to be a scheme involving calcium and hydroxyl vacancies.
It is found that trivalent ions have an energetic preference for the Ca site, while tetravalent ions can enter P sites.
Charge compensation is predicted to occur basically via three schemes.
In general, the charge compensation via the formation of calcium vacancies is more favorable.
Trivalent dopant ions are more stable than tetravalent dopants.
American Psychological Association (APA)
Santos, Ricardo D. S.& Rezende, Marcos V. dos S.. 2014. Atomistic Simulation of Intrinsic Defects and Trivalent and Tetravalent Ion Doping in Hydroxyapatite. Advances in Condensed Matter Physics،Vol. 2014, no. 2014, pp.1-8.
https://search.emarefa.net/detail/BIM-1015273
Modern Language Association (MLA)
Santos, Ricardo D. S.& Rezende, Marcos V. dos S.. Atomistic Simulation of Intrinsic Defects and Trivalent and Tetravalent Ion Doping in Hydroxyapatite. Advances in Condensed Matter Physics No. 2014 (2014), pp.1-8.
https://search.emarefa.net/detail/BIM-1015273
American Medical Association (AMA)
Santos, Ricardo D. S.& Rezende, Marcos V. dos S.. Atomistic Simulation of Intrinsic Defects and Trivalent and Tetravalent Ion Doping in Hydroxyapatite. Advances in Condensed Matter Physics. 2014. Vol. 2014, no. 2014, pp.1-8.
https://search.emarefa.net/detail/BIM-1015273
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1015273