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Ionic Charge and Lattice Dynamics of Cubic Zinc Sulphide
Author(s) -
Kunc K.,
Balkanski M.,
Nusimovici M.
Publication year - 1970
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.19700410203
Subject(s) - ionic bonding , phonon , valence (chemistry) , ion , lattice (music) , inelastic neutron scattering , condensed matter physics , zinc , effective nuclear charge , ionic potential , dispersion (optics) , chemistry , inelastic scattering , atomic physics , scattering , physics , quantum mechanics , organic chemistry , acoustics
Abstract The lattice dynamics of cubic zinc sulphide is established with special attention paid to the value of static ionic charge. A simple ten parameters model of deformable ions is used which treats the short‐range interactions in terms of the valence force field and which considers the mechanical and electrical polarizabilities of the atoms in a simple manner. The recent inelastic neutron scattering measurements of the phonon dispersion curves being taken into account, the static ionic charge was found to be within the limits q Zn ϵ (+0.25; +0.5) ∣e∣ and the value q Zn = +0.335 ∣e∣ is considered as the most convenient one for the lattice dynamical calculations. Phonon dispersion curves and the density of states are calculated, the influence of various simplifications of the model is discussed.