Piezoelectric, Ferroelectric, and Optoelectronic Phenomena in Hydroxyapatite with Various Defect Levels

Ferroelectrics 2020
V.S. Bystrov, J Coutinho, l.a. Avakyan, Anna Bystrova, E.V. Paramonova

The results are based on DFT calculations of hydroxyapatite (HAp) structures, pristine and defective, determined by various defects formed by oxygen vacancy depending on the charged states. Ordered hexagonal and monoclinic HAp phases have polarization, while disordered ones do not. These ferroelectric properties are determined by orientation of OH dipoles and cause the piezoelectric and pyroelectric phenomena in such HAp structures. Optical properties of defected HAp are mainly determined by various types of oxygen vacancy defects and can be manifested in the absorption and photocatalysis under ultraviolet illumination.

Keywords
Hydroxyapatite | modeling | optical properties | piezoelectricity | polarization | pyroelectricity
DOI
10.1080/00150193.2020.1722005
Hyperlink
https://www.tandfonline.com/doi/full/10.1080/00150193.2020.1722005

Bystrov, V., Coutinho, J., Avakyan, l., Bystrova, A., Paramonova, E. Piezoelectric, Ferroelectric, and Optoelectronic Phenomena in Hydroxyapatite with Various Defect Levels. Ferroelectrics, 2020, Vol. 559, No. 1, pp.45-55. ISSN 0015-0193. e-ISSN 1563-5112. Available from: doi:10.1080/00150193.2020.1722005

Publication language
English (en)