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Lattice Dynamics of KCN and NaCN in the Anti‐Ferroelectric Phase
Author(s) -
Anderson A.,
Gash P.,
Lüty F.
Publication year - 1981
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.2221050136
Subject(s) - ferroelectricity , raman spectroscopy , cyanide , eigenvalues and eigenvectors , chemistry , coupling constant , lattice (music) , potassium cyanide , potassium , phase (matter) , nuclear magnetic resonance , condensed matter physics , molecular physics , materials science , physics , dielectric , inorganic chemistry , optics , quantum mechanics , organic chemistry , acoustics
Abstract A simple force constant model is described which allows the zone‐center normal mode frequencies of potassium cyanide and sodium cyanide in their ordered anti‐ferroelectric phase to be calculated. The degree of translational—librational coupling is deduced from the eigenvectors, and relative Raman and infrared intensities are estimated. Results are compared with available experimental data, and good agreement is obtained for KCN. The simple model is, however, unable to fully explain the observed Raman intensity distribution in NaCN, and possible additional contributing mechanisms are briefly discussed.