mriselMagnetic Resonance in SolidsMagnetic Resonance in Solids2072-5981Kazan Federal University10.26907/mrsej-23201mrisel-22Research ArticleСтатьиThe study of synthetic tricalcium phosphate by EPR and DFT methodsShurtakovaD. V.

Kremlevskaya 18, Kazan 420008

darvshurtakova@kpfu.ruMaminG. V.

Kremlevskaya 18, Kazan 420008

GafurovM. R.

Kremlevskaya 18, Kazan 420008

Kazan Federal UniversityRussian Federation20231212202325223201 (7pp.)Copyright © Shurtakova D.V., Mamin G.V., Gafurov M.R., 20232023Shurtakova D.V., Mamin G.V., Gafurov M.R.Shurtakova D.V., Mamin G.V., Gafurov M.R.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://www.mrsej.ru/jour/article/view/22

In this research, we propose a model of an impurity nitrogen center in tricalcium phosphate (TCP). This impurity was not intentionally added but was detected by electron paramagnetic resonance (EPR). It was shown that the EPR spectrum of the powder under study is due to two types of such impurity centers, which we attribute to the TCP phase and the admixed hydroxyapatite phase. The parameters of the spin Hamiltonian for the center in TCP obtained using Density Functional Theory (DFT) calculations are close to the experimental ones and allow us to propose a model of a nitrogen-containing center. The temperature dependence of the spin-lattice relaxation rate in the TCP phase is described by a process proportional to T2.35 in the temperature range from 10 to 300 K

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The authors declare that there are no conflicts of interest present.