title: Vibrational algorithms for quantitative crystallographic analyses of hydroxyapatite-based biomaterials: I, theoretical foundations.
abstract: The Raman spectroscopic method has quantitatively been applied to the analysis of local crystallographic orientation in both single-crystal hydroxyapatite and human teeth. Raman selection rules for all the vibrational modes of the hexagonal structure were expanded into explicit functions of Euler angles in space and six Raman tensor elements (RTE). A theoretical treatment has also been put forward according to the orientation distribution function (ODF) formalism, which allows one to resolve the statistical orientation patterns of the nm-sized hydroxyapatite crystallite comprised in the Raman microprobe. Close-form solutions could be obtained for the Euler angles and their statistical distributions resolved with respect to the direction of the average texture axis. Polarized Raman spectra from single-crystalline hydroxyapatite and textured polycrystalline (teeth enamel) samples were compared, and a validation of the proposed Raman method could be obtained through confirming the agreement between RTE values obtained from different samples.
authors: Ceramic Physics Laboratory, Kyoto Institute of Technology, Sakyo-ku, Matsugasaki, 606-8126, Kyoto, Japan, pezzotti@kit.ac.jp.
authors: Giuseppe
authors: G
authors: Pezzotti
authors: Wenliang
authors: W
authors: Zhu
authors: Marco
authors: M
authors: Boffelli
authors: Tetsuya
authors: T
authors: Adachi
authors: Hiroaki
authors: H
authors: Ichioka
authors: Toshiro
authors: T
authors: Yamamoto
authors: Yoshinori
authors: Y
authors: Marunaka
authors: Narisato
authors: N
authors: Kanamura
mesh_terms: D000465:Algorithms; D001672:Biocompatible Materials / Q000032:analysis / Q000737:chemistry; D003743:Dental Enamel / Q000737:chemistry*; D017886:Durapatite / Q000737:chemistry*; D006801:Humans; D007180:Incisor / Q000737:chemistry; D008963:Molar / Q000737:chemistry; D013059:Spectrum Analysis, Raman / Q000379:methods*
chemical_list: D001672:Biocompatible Materials; D017886:Durapatite