scholarly journals Phonon Dispersion Relations for Chromium and Tantalum

1975 ◽  
Vol 28 (1) ◽  
pp. 57 ◽  
Author(s):  
Jyoti Prakash ◽  
LP Pathak ◽  
MP Hemkar
Keyword(s):  
Force Constant ◽  
Phonon Dispersion ◽  
Normal Modes ◽  
Inelastic Neutron ◽  
Neutron Spectroscopy ◽  
Phonon Dispersion Curves ◽  
Modes Of Vibration ◽  
Experimental Values ◽  
Good Agreement ◽  
Phonon Dispersion Relations

Phonon dispersion curves for the normal modes of vibration in chromium and tantalum are calculated along the symmetry directions [100], [110] and [111] using the five force-constant model of Behari and Tripathi (1970a). The results are compared with experimental values obtained from inelastic neutron spectroscopy and reasonably good agreement is found.

Two-phonon absorption in InSb, InAs, and GaAs

1976 ◽  
Vol 54 (16) ◽  
pp. 1676-1682 ◽  
Author(s):  
E. S. Koteles ◽  
W. R. Datars
Keyword(s):  
Phonon Dispersion ◽  
Inelastic Neutron Scattering ◽  
Far Infrared ◽  
Inelastic Neutron ◽  
Model Fit ◽  
Fourier Transform Spectrometer ◽  
Phonon Density ◽  
Phonon Dispersion Curves ◽  
Phonon Absorption ◽  
Good Agreement

Far-infrared absorption in the III–V compound semiconductors InSb, InAs, and GaAs has been measured using a Fourier transform spectrometer. The high-resolution spectra of the three materials were found to be very similar. Features on the spectra were assigned to two-phonon sum and difference processes with the aid of two-phonon density-of-states curves for InSb and GaAs calculated from a shell model fit to phonon dispersion curves. Interpretation of the spectrum of InAs was possible because of its similarity to that of InSb and GaAs. The frequencies of phonons at certain points in the Brillouin zone of InSb and GaAs determined from the mode assignments to the infrared spectra were in good agreement with previous measurements by inelastic neutron scattering and Raman scattering.

LATTICE DYNAMICS OF α-LiIO3

1991 ◽  
Vol 05 (17) ◽  
pp. 1167-1173
Author(s):  
YIMIN JIANG ◽  
HONG LIN ◽  
CHENG GOU ◽  
SHIWEN NIU
Keyword(s):  
Lattice Dynamics ◽  
Molecular Crystal ◽  
Field Model ◽  
Phonon Dispersion ◽  
Normal Modes ◽  
Coulomb Force ◽  
Strong Mixing ◽  
Phonon Dispersion Curves ◽  
Good Agreement ◽  
Rigid Ion Model

The phonon dispersion curves of α- LiIO 3, which exhibit a characteristic molecular crystal behaviour, are calculated on the basis of a modified rigid-ion model in which a Born-Mayer potential is used for short-range repulsive interactions between Li ions and [Formula: see text] groups and a central force constant model is used for internal interactions in the [Formula: see text] group. The computed phonon frequencies are in good agreement with those of Raman, infrared and neutron measurements. The calculations show a strong mixing of the pre-normal modes given by Crettez et al.,4 therefore indicating that the long-range Coulomb force may change greatly the assignments previously obtained from a force-field model.

Lattice dynamical study of face centred tetragonal indium

1983 ◽  
Vol 61 (1) ◽  
pp. 58-66 ◽  
Author(s):  
V. Ramamurthy ◽  
S. B. Rajendraprasad
Keyword(s):  
Frequency Distribution ◽  
Phonon Frequency ◽  
Phonon Dispersion ◽  
Dynamical Study ◽  
Atomic Interactions ◽  
Characteristic Features ◽  
Experimental Values ◽  
First Time ◽  
Good Agreement ◽  
Phonon Dispersion Relations

The phonon dispersion relations and the phonon frequency distribution function of fct indium have been deduced, for the first time, using a lattice dynamical model which expresses the atomic interactions in terms of central, angular, and volume forces. Six elastic constants, four zone boundary frequencies, and an equilibrium condition were used in the evaluation of the force constants. It is shown that this model is elastically consistent and conforms with the translational symmetry of the lattice; the phonon frequencies of indium deduced from it are in very good agreement with the experimental values of Reichardt and Smith and the theoretical values of Garrett and Swihart, but disagree with the theoretical values of Chulkov et al. as well as those of Gunton and Saunders at several wave vectors and polarizations. In addition the phonon frequency distribution curve obtained from this model is in overall agreement with those obtained from the electron tunnelling data, the inelastic scattering of neutrons as well as a pseudopotential model. The apparent characteristic features of these curves, the implications of the crystallographic equivalence between fct and bet lattices, and their relevance in the lattice dynamical study of indium are discussed.

The crystal dynamics of cuprous halides

1982 ◽  
Vol 60 (11) ◽  
pp. 1589-1594 ◽  
Author(s):  
Manvir S. Kushwaha
Keyword(s):  
Phonon Dispersion ◽  
Characteristic Temperature ◽  
Force Model ◽  
Phonon Dispersion Curves ◽  
Debye Characteristic Temperature ◽  
Zinc Blende ◽  
Crystal Dynamics ◽  
Bond Bending ◽  
Dynamical Description ◽  
Good Agreement

The lattice dynamics of cuprous halides have been thoroughly investigated by means of an 8-parameter bond-bending force model (BBFM), recently developed and applied successfully to study phonons in various II–VI and III–V compound semiconductors having zinc-blende (ZB) structure. The application of BBFM is made to calculate the phonon dispersion relations, phonon density of states, and temperature variation of the Debye characteristic temperature [Formula: see text] of CuCl, CuBr, and CuI. The room-temperature neutron scattering measurements for phonon dispersion curves along three principal symmetry directions and calorimetric experimental data for the Debye characteristic temperature have been used to check the validity of BBFM for the three crystals. The overall good agreement between theoretical and experimental results supports its use as an appropriate model for the dynamical description of ZB crystals.

Phonon renormalization of the electronic effective mass

1969 ◽  
Vol 47 (10) ◽  
pp. 1107-1116 ◽  
Author(s):  
J. P. Carbotte ◽  
R. C. Dynes ◽  
P. N. Trofimenkoff
Keyword(s):  
Effective Mass ◽  
Phonon Dispersion ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Force Constants ◽  
Coupling Constant ◽  
Phonon Dispersion Curves ◽  
Electron Phonon Interaction ◽  
Phonon Renormalization ◽  
Pseudo Potential

We have made detailed first principle calculations of the phonon contribution to the renormalization of the electronic effective mass of a number of simple metals and alloys. The phonon frequencies and polarization vectors are generated from the interatomic force constants for the material. The force constants are taken from a Born – von Kármán analysis of the experimental phonon dispersion curves determined by inelastic neutron scattering. The electron–phonon interaction is treated using pseudo-potential theory which relates the coupling constant to the electron–ion form factor. For a spherical Fermi surface it is then possible to evaluate numerically the expression for the effective mass with no further approximations. We compare the results obtained with previous work when available and with experiment otherwise.

Electron Correlation Effects on the Lattice Dynamics of Sodium and Potassium

1975 ◽  
Vol 53 (16) ◽  
pp. 1507-1512 ◽  
Author(s):  
V. K. Jindal
Keyword(s):  
Dielectric Function ◽  
Lattice Dynamics ◽  
Phonon Dispersion ◽  
Matrix Elements ◽  
Correlation Effects ◽  
Phonon Dispersion Curves ◽  
Electron Correlation Effects ◽  
Experimental Values ◽  
The One ◽  
Sodium And Potassium

The phonon dispersion curves for sodium and potassium have been calculated using the one OPW (orthogonalized plane wave) bare electron matrix elements and the dielectric function of Vashishta and Singwi. Results are compared with experimental results as well as with similar calculations using the dielectric function of Geldart and Taylor. It is found that the screening function of Vashishta and Singwi gives at least as good an agreement with experimental values as obtained from the screening function of Geldart and Taylor. The interionic potentials for these metals have also been calculated and compared with similar calculations done previously. The reason for the appreciable difference between the potentials is discussed.

Phonon dispersion curves by inelastic neutron scattering to 12 Gpa

2001 ◽  
Vol 216 (8) ◽  
Author(s):  
S. Klotz
Keyword(s):  
Neutron Scattering ◽  
Phonon Dispersion ◽  
Inelastic Neutron Scattering ◽  
Ambient Pressure ◽  
Inelastic Neutron ◽  
Dispersion Curves ◽  
Stability Range ◽  
Phonon Dispersion Curves ◽  
Simple Systems ◽  
Considerable Detail

AbstractRecent progress in high pressure techniques allows the measurements of phonon dispersion curves to ~12 GPa by inelastic neutron scattering on triple axis spec-trometers. Provided the structure is not too complex, a vari-ety of low-compressibility solids may be studied over the entire stability range of their ambient pressure forms. This article reviews results obtained during the last five years on the lattice dynamics of a number of “simple” systems (Ge, GaSb, PbTe, FeO, Zn, Fe) where the pressure-induced frequency shifts of the acoustic branches have been studied in considerable detail. In several of these solids pronounced “mode softening” is found under pressure. Grüneisen parameters and elastic constants have been determined and the results were compared to predictions of first-principle calculations.

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