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Phonon Spectrum in Hydroxyapatite: Calculations and EPR Study at Low Temperatures

Phonon Spectrum in Hydroxyapatite: Calculations and EPR Study at Low Temperatures Density functional theory-based calculations within the framework of the plane-wave pseudopotential approach are carried out to define the phonon spectrum of hydroxyapatite $$\mathrm{Ca}_{10}(\mathrm{PO}_{4})_{6}(\mathrm{OH})_{2}$$ Ca 10 ( PO 4 ) 6 ( OH ) 2 (HAp). It allows to describe the temperature dependence of the electronic spin-lattice relaxation time $$\mathrm{T}_{1e}$$ T 1 e of the radiation-induced stable radical $$\mathrm{NO}_{3}^{2-}$$ NO 3 2 - in HAp, which was measured in X-band (9 GHz, magnetic field strength of 0.34 T) in the temperature range T = (10–300) K. It is shown that the temperature behavior of $$T_{1e}$$ T 1 e at $$T>$$ T >  20 K can be fitted via two-phonon Raman type processes with the Debye temperature $$\Theta _{\mathrm{D}} \approx 280\,{\mathrm{K}}$$ Θ D ≈ 280 K evaluated from the phonon spectrum. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Low Temperature Physics Springer Journals

Phonon Spectrum in Hydroxyapatite: Calculations and EPR Study at Low Temperatures

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References (3)

Publisher
Springer Journals
Copyright
Copyright © 2015 by Springer Science+Business Media New York
Subject
Physics; Condensed Matter Physics; Characterization and Evaluation of Materials; Magnetism, Magnetic Materials
ISSN
0022-2291
eISSN
1573-7357
DOI
10.1007/s10909-015-1419-2
Publisher site
See Article on Publisher Site

Abstract

Density functional theory-based calculations within the framework of the plane-wave pseudopotential approach are carried out to define the phonon spectrum of hydroxyapatite $$\mathrm{Ca}_{10}(\mathrm{PO}_{4})_{6}(\mathrm{OH})_{2}$$ Ca 10 ( PO 4 ) 6 ( OH ) 2 (HAp). It allows to describe the temperature dependence of the electronic spin-lattice relaxation time $$\mathrm{T}_{1e}$$ T 1 e of the radiation-induced stable radical $$\mathrm{NO}_{3}^{2-}$$ NO 3 2 - in HAp, which was measured in X-band (9 GHz, magnetic field strength of 0.34 T) in the temperature range T = (10–300) K. It is shown that the temperature behavior of $$T_{1e}$$ T 1 e at $$T>$$ T >  20 K can be fitted via two-phonon Raman type processes with the Debye temperature $$\Theta _{\mathrm{D}} \approx 280\,{\mathrm{K}}$$ Θ D ≈ 280 K evaluated from the phonon spectrum.

Journal

Journal of Low Temperature PhysicsSpringer Journals

Published: Dec 17, 2015

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