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The phonon spectra of γ‐ and β‐CuBr
Author(s) -
Haxton M. B.
Publication year - 1978
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220860228
Subject(s) - wurtzite crystal structure , condensed matter physics , phonon , coulomb , inelastic neutron scattering , chemistry , range (aeronautics) , atmospheric temperature range , dispersion (optics) , lattice (music) , spectral line , hamiltonian (control theory) , scattering , physics , molecular physics , neutron scattering , thermodynamics , materials science , quantum mechanics , zinc , mathematics , mathematical optimization , organic chemistry , acoustics , composite material , electron
A previously paper on CuI, is repeated for CuBr. A rigid ion, second neighbor ionic model proposed by Banerjee and Varshni is used to fit the inelastic neutron scattering data of Prevot et al. for the γ phase of CuBr. The model consists of a long range Coulomb contribution calculated directly and short range parameters calculated for the best fit to the data. The dispersion curves of β‐CuBr are calculated using the same model. The long range Coulomb contributions are again calculated directly. The short range parameters for the ideal wurtzite structure are calculated by Euler transformations of the zinc blende short range interaction matrices. Because of the nonideal structure of β‐CuBr and because of the expansion of the lattice with the increase in temperature, some small corrections are necessary. With these long range and short range contributions, the dispersion curves for β‐CuBr are calculated.