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Lattice Dynamics and Anharmonic Effects in AgCl
Author(s) -
Fischer K.
Publication year - 1974
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.2220660133
Subject(s) - anharmonicity , halide , lattice (music) , ion , lattice vibration , infrared , shell (structure) , alkali metal , condensed matter physics , shell model , physics , chemistry , atomic physics , materials science , quantum mechanics , inorganic chemistry , phonon , acoustics , composite material
The lattice vibrations of AgCl are calculated from an extended shell model where the shell of the Ag‐ion has a quadrupolar and a rotational degree of freedom. The model parameters are discussed in connection with the electronic 4d‐shell of the Ag‐ion. Thermal expansion, infrared reflection, and anharmonic frequency shift are calculated from a simple extension of the harmonic model, and are found to be in good agreement with experimental data. The anharmonic effects are comparable to those of the alkali halides.