Consequences of defects on lattice vibrations semiclassical theory

SEMICLASSICAL THEORY OF PROTON TRANSPORT IN ICE

Canadian Journal of Physics ◽

10.1139/p67-115 ◽

1967 ◽

Vol 45 (4) ◽

pp. 1507-1516 ◽

Cited By ~ 3

Author(s):

Dong-Yun Kim ◽

V. Hugo Schmidt

Keyword(s):

Ion Mobility ◽

Proton Transport ◽

Electrostatic Interactions ◽

Cutoff Frequency ◽

Water Molecules ◽

Collision Term ◽

Lattice Vibrations ◽

Semiclassical Theory ◽

Boltzmann Transport ◽

Proton Mobility

A method is described for calculating proton or other ion mobility which is applicable if mobility is limited by lattice scattering rather than by barrier jumping. The Boltzmann transport equation is used, with the collision term calculated from the electrostatic interactions between the mobile ion and the vibrating lattice. In particular the proton mobility in ice is calculated. The lattice vibrations are approximated by a Debye spectrum for translational vibrations of water molecules, plus an Einstein spectrum for modes in which protons vibrate almost as independent particles. Scattering by phonons somewhat below the Debye cutoff frequency is of the greatest importance in determining the mobility, and the proton modes have negligible effect. The calculated mobility agrees reasonably well with the experimental value.

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Semiclassical theory of atom-surface inelastic scattering

Journal de Physique ◽

10.1051/jphys:0198500460105500 ◽

1985 ◽

Vol 46 (1) ◽

pp. 55-76 ◽

Cited By ~ 17

Author(s):

A. Nourtier

Keyword(s):

Inelastic Scattering ◽

Semiclassical Theory

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ELECTROSTATIC ENERGY AND LATTICE VIBRATIONS IN THIN IONIC SLABS

Le Journal de Physique Colloques ◽

10.1051/jphyscol:19816100 ◽

1981 ◽

Vol 42 (C6) ◽

pp. C6-341-C6-343

Author(s):

G. Kanellis ◽

J. F. Morhange ◽

M. Balkanski

Keyword(s):

Electrostatic Energy ◽

Lattice Vibrations

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SEMICLASSICAL THEORY OF ION STOPPING

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1988707 ◽

1988 ◽

Vol 49 (C7) ◽

pp. C7-59-C7-68

Author(s):

R. M. MORE ◽

K. H. WARREN

Keyword(s):

Semiclassical Theory

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Vibration spectra of mixed crystals Sc(PO4, VO4) and Y(PO4, VO4)

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19821176 ◽

1982 ◽

Vol 47 (4) ◽

pp. 1176-1183 ◽

Cited By ~ 3

Author(s):

Alexander Muck ◽

Olga Smrčková ◽

Bohumil Hájek

Keyword(s):

Infrared Spectra ◽

Group Analysis ◽

Point Of View ◽

Mixed Crystals ◽

Site Symmetry ◽

Lattice Vibrations ◽

Vibration Spectra ◽

Space Group

Infrared spectra of mixed crystals Sc(PO4, VO4) and Y(PO4, VO4) have been studied from the point of view of group analysis. These systems form substitution mixed crystals in tetragonal space group D194h. The anions having proper symmetry Td or D2d in site symmetry D2d exhibit in spectra lowering of the site symmetry to effective C2 as a result of lattice vibrations of the type T(B2).

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Infrared Spectroscopy Characterization of Marine Shells

MRS Proceedings ◽

10.1557/proc-711-hh3.49.1 ◽

2001 ◽

Vol 711 ◽

Author(s):

Octavio Gomez-Martinez ◽

Daniel H. Aguilar ◽

Patricia Quintana ◽

Juan J. Alvarado-Gil ◽

Dalila Aldana ◽

...

Keyword(s):

Fourier Transform ◽

Infrared Spectroscopy ◽

Crassostrea Virginica ◽

Thermal Treatments ◽

Vibration Modes ◽

Lattice Vibrations ◽

Vibration Frequencies ◽

Mussel Shells ◽

Carbonate Lattice

ABSTRACTFourier Transform infrared spectroscopy has been employed to study the shells of two kind of mollusks, American oysters (Crassostrea virginica) and mussels (Ischadium recurvum). It is shown that it is possible to distinguish the different calcium carbonate lattice vibrations in each case, mussel shells present aragonite vibration frequencies, and the oyster shells present those corresponding to calcite. The superposition, shift and broadening of the infrared bands are discussed. Changes in the vibration modes due to successive thermal treatments are also reported.

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