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 |
|---|---|
| Pages (from-to) | 548-549 |
| Number of pages | 2 |
| Journal | Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi/Journal of the Ceramic Society of Japan |
| Volume | 118 |
| Issue number | 1378 |
| Publication status | Published - 2010 Jun |
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Keywords
- Bulk modulus
- Elastic modulus
- First principles calculation
- Hydroxyapatite
ASJC Scopus subject areas
- Ceramics and Composites
- Materials Chemistry
- Chemistry(all)
- Condensed Matter Physics
Cite this
First-principles calculations of the elastic properties of hydroxyapatite doped with divalent ions. / Kawabata, Kazuhiko; Yamamoto, Tomoyuki.
In: Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi/Journal of the Ceramic Society of Japan, Vol. 118, No. 1378, 06.2010, p. 548-549.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - First-principles calculations of the elastic properties of hydroxyapatite doped with divalent ions
AU - Kawabata, Kazuhiko
AU - Yamamoto, Tomoyuki
PY - 2010/6
Y1 - 2010/6
N2 - 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.
AB - 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.
KW - Bulk modulus
KW - Elastic modulus
KW - First principles calculation
KW - Hydroxyapatite
UR - http://www.scopus.com/inward/record.url?scp=77953558758&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=77953558758&partnerID=8YFLogxK
M3 - Article
VL - 118
SP - 548
EP - 549
JO - Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi/Journal of the Ceramic Society of Japan
JF - Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi/Journal of the Ceramic Society of Japan
SN - 1882-0743
IS - 1378
ER -