Abstract
The first-principles calculations are carried out to investigate the influence of the presence of divalent ions, Mg2+ and Sr2+, on the elastic properties of hydroxyapatite. The calculated elastic moduli for pure hydroxyapatite are in good agreement with the experimental values. After examination of the geometrical structures of hydroxyapatite doped with the divalent ions, the elastic properties of the models are investigated.
Original language | English |
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Pages (from-to) | 548-549 |
Number of pages | 2 |
Journal | Journal of the Ceramic Society of Japan |
Volume | 118 |
Issue number | 1378 |
DOIs | |
Publication status | Published - 2010 Jun |
Keywords
- Bulk modulus
- Elastic modulus
- First principles calculation
- Hydroxyapatite
ASJC Scopus subject areas
- Ceramics and Composites
- Chemistry(all)
- Condensed Matter Physics
- Materials Chemistry