A molecular dynamics simulation study of (OH-) schottky defects in hydroxyapatite

Zeitschrift fur Anorganische und Allgemeine Chemie

Volumn 631, Issue 6-7, 2005, Pages 1134-1138

  Zahn, Dirk ^a   Hochrein, Oliver ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

Author keywords

Apatite; Molecular Dynamics; Schottky defects

Indexed keywords

CALCIUM ION; HYDROXIDE; HYDROXYAPATITE;

ARTICLE; CRYSTAL; DIFFUSION; ENERGY; MOLECULAR DYNAMICS; SIMULATION; TEMPERATURE MEASUREMENT; VACUUM;

EID: 18844382911     PISSN: 00442313     EISSN: None     Source Type: Journal    
DOI: 10.1002/zaac.200400529     Document Type: Article

References (13)

1. J. C. Elliot, P. E. Mackie, R. A. Young, Science 1973, 180, 1055.
2. M. I. Kay, R. A. Young, A. S. Posner, Nature 1964, 204, 1050.
3. H. B van Rees, M. Menngeot, E. Kostiner, Mater. Res. Bull. 1973, 8, 1307.
4. H. Suda, M. Yashima, M. Kakihana, M. Yoshimura, J. Phys. Chem. 1995, 99, 6752.
5. O. Hochrein, D. Zahn, R. Kniep, J. Brickmann, Z. Anorg. Allg. Chem. 2004, 630, 1728.
6. O. Hochrein, R. Kniep, D. Zahn, Chem. Mater, in press.
7. N. H. de Leeuw, Phys. Chem. Chem. Phys. 2002, 4, 3865.
8. J. C. Elliott, Studies in Inorganic Chemistry 18: "Structure and Chemistry of the Apatites and Other Calcium Orthophosphates", Elsevier, Amsterdam 1994.
9. R. M. Wilson, J. C. Elliott, S. E. P. Dowker, Am. Miner. 1999, 84, 1406.
10. C.-K. Loong, C. Rey, L. T. Kuhn, C. Combes, Y. Wu, S. H. Chen, M. J. Glimcher, Bone 2004, 26, 599.
11. S. Hauptmann, H. Dufner, J. Brickmann, S. M. Kast, R. S. Berry, Phys. Chem. Chem. Phys. 2003, 5, 635.
12. W. Smith, T. Forester, J. Mol. Graphics 1996, 14, 136.
13. S. Melchionna, G. Ciccotti, B. L. Holian, Mol. Phys. 1993, 78, 533.