Line-broadening effects in the powder infrared spectrum of apatite

[1]  H. Schwarcz,et al.  New parameters for the characterization of diagenetic alterations and heat-induced changes of fossil bone mineral using Fourier transform infrared spectrometry , 2010 .

[2]  Ekhard K. H. Salje,et al.  Low-temperature infrared spectroscopic study of OH-stretching modes in kaolinite and dickite , 2010 .

[3]  E. Balan,et al.  Preservation assessment of Miocene–Pliocene tooth enamel from Tugen Hills (Kenyan Rift Valley) through FTIR, chemical and stable-isotope analyses , 2010 .

[4]  Stefano de Gironcoli,et al.  QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials , 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

[5]  E. Balan,et al.  Induced modifications of kaolinite under ionizing radiation: an infrared spectroscopic study , 2009 .

[6]  M. Lazzeri,et al.  Surface modes in the infrared spectrum of hydrous minerals: the OH stretching modes of bayerite , 2008 .

[7]  M. Menziani,et al.  An ab initio parameterized interatomic force field for hydroxyapatite , 2007 .

[8]  M. Corno,et al.  Periodic ab initio study of structural and vibrational features of hexagonal hydroxyapatite Ca10(PO4)6(OH)2. , 2006, Physical chemistry chemical physics : PCCP.

[9]  S. Tofail,et al.  Structure and stability of hydroxyapatite: Density functional calculation and Rietveld analysis , 2005 .

[10]  B. Reynard,et al.  Can crystallinity be used to determine the degree of chemical alteration of biogenic apatites , 2004 .

[11]  M. Calandra,et al.  Anharmonic phonon frequency shift in MgB 2 , 2003, cond-mat/0306650.

[12]  E. Balan,et al.  Native Cd+ in sedimentary fluorapatite , 2002 .

[13]  A. Marco Saitta,et al.  First-principles modeling of the infrared spectrum of kaolinite , 2001 .

[14]  Todd A. Surovell,et al.  Standardizing Infra-red Measures of Bone Mineral Crystallinity: an Experimental Approach , 2001 .

[15]  Stefano de Gironcoli,et al.  Phonons and related crystal properties from density-functional perturbation theory , 2000, cond-mat/0012092.

[16]  William T. Lee,et al.  Surface relaxations in hydroxyapatite , 2000 .

[17]  E. Salje,et al.  Autocorrelation analysis of infrared spectra from minerals , 2000 .

[18]  B. Reynard,et al.  Crystal-chemical controls on rare-earth element concentrations in fossil biogenic apatites and implications for paleoenvironmental reconstructions , 1999 .

[19]  J. Lee-Thorp,et al.  Alteration of Enamel Carbonate Environments during Fossilization , 1999 .

[20]  C. Lécuyer,et al.  δ18O values of coexisting brachiopods and fish: Temperature differences and estimates of paleo–water depths , 1998 .

[21]  E. Salje,et al.  HARD MODE SPECTROSCOPY : THE CONCEPT AND APPLICATIONS , 1997 .

[22]  Xavier Gonze,et al.  Dynamical matrices, born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory , 1997 .

[23]  G. Morin,et al.  Assessment of archaeological bone and dentine preservation from Lazaret Cave (Middle Pleistocene) in France , 1996 .

[24]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[25]  Zhang,et al.  Optical properties of YBa2Cu3O7- delta thin films. , 1995, Physical review. B, Condensed matter.

[26]  G. Morin,et al.  Chemical and structural changes in Cervus elaphus tooth enamels during fossilization (Lazaret cave): a combined IR and XRD Rietveld analysis , 1995 .

[27]  M. Ikeya New Applications Of Electron Spin Resonance: Dating, Dosimetry And Microscopy , 1993 .

[28]  J. Lacout,et al.  Thermal Behavior of Cadmium-Containing Apatites , 1993 .

[29]  E. Salje,et al.  Order parameter saturation at low temperatures -numerical results for displacive and O/D systems , 1991 .

[30]  Ekhard K. H. Salje,et al.  Order-parameter saturation and low-temperature extension of Landau theory , 1991 .

[31]  A. Shemesh Crystallinity and diagenesis of sedimentary apatites , 1990 .

[32]  S. Weiner,et al.  States of preservation of bones from prehistoric sites in the Near East: A survey , 1990 .

[33]  K. Crowley,et al.  Structural variations in natural F, OH, and Cl apatites , 1989 .

[34]  Jose Menendez,et al.  Temperature dependence of the first-order Raman scattering by phonons in Si, Ge, and α − S n : Anharmonic effects , 1984 .

[35]  V. Devarajan,et al.  A potential model for fluorapatite , 1981 .

[36]  R. Ruppin Infrared absorption in rectangular crystallites , 1978 .

[37]  R. Fuchs,et al.  Theory of the optical properties of ionic crystal cubes , 1975 .

[38]  D. Adams,et al.  Single-crystal vibrational spectra of apatite, vanadinite, and mimetite , 1974 .

[39]  G. Samara,et al.  Anharmonic Effects in KTaO 3 : Ferroelectric Mode, Thermal Expansion,and Compressibility , 1973 .

[40]  Christian Rey,et al.  Resolution-enhanced fourier transform infrared spectroscopy study of the environment of phosphate ions in the early deposits of a solid phase of calcium-phosphate in bone and enamel, and their evolution with age. I: Investigations in thev4 PO4 domain , 2007, Calcified Tissue International.

[41]  M. Lazzeri,et al.  First-principles study of OH-stretching modes in kaolinite, dickite, and nacrite , 2005 .

[42]  John M. Hughes,et al.  The Crystal Structure of Apatite, Ca5(PO4)3(F,OH,Cl) , 2002 .

[43]  J. Elliott Calcium Phosphate Biominerals , 2002 .

[44]  M. Kohn,et al.  Phosphates : Geochemical, Geobiological, and Materials Importance , 2002 .

[45]  M. Fleet,et al.  Compositions of the Apatite-Group Minerals: Substitution Mechanisms and Controlling Factors , 2002 .

[46]  P. Candela,et al.  Apatite in Igneous Systems , 2002 .

[47]  R. Ruppin Infrared absorption in spheroidal crystallites , 1977 .

[48]  V. Farmer The Infrared spectra of minerals , 1974 .

[49]  J. Scott Soft-mode spectroscopy: Experimental studies of structural phase transitions , 1974 .