The paper reports a mode coupling calculation of the memory function for the dynamics of long-wave-length charge fluctuations in a symmetric binary ionic liquid, as a simple model for molten alkali halides. Symmetry under charge conjugation is exploited to derive selection rules for the decay of single-mode excitations into multimode excitations. An estimation of the two-mode decay channels indicates that they can be approximately separated into fast processes and slow processes. The former involve a pair of outcoming longitudinal modes, one of acoustic character and the other of optical character, and are the main cause of the broadening of the high-frequency peak in the van Hove structure factor for the charge density fluctuations. The slow decay channels involve either a longitudinal-optic and a transverse-acousic mode or a longitudinal-acoustic and a transverse-optic mode and are dominant in the low frequency region of the spectrum where Drude-like conduction is occurring. The calculated shape of the van Hove function is in reasonable agreement with the available computer simulation data, after an empirical scaling of the spectrum of fluctuating forces.
Mode coupling theory of charge fluctuations spectrum in a binary ionic liquid.
MARINI BETTOLO MARCONI, Umberto
1980-01-01
Abstract
The paper reports a mode coupling calculation of the memory function for the dynamics of long-wave-length charge fluctuations in a symmetric binary ionic liquid, as a simple model for molten alkali halides. Symmetry under charge conjugation is exploited to derive selection rules for the decay of single-mode excitations into multimode excitations. An estimation of the two-mode decay channels indicates that they can be approximately separated into fast processes and slow processes. The former involve a pair of outcoming longitudinal modes, one of acoustic character and the other of optical character, and are the main cause of the broadening of the high-frequency peak in the van Hove structure factor for the charge density fluctuations. The slow decay channels involve either a longitudinal-optic and a transverse-acousic mode or a longitudinal-acoustic and a transverse-optic mode and are dominant in the low frequency region of the spectrum where Drude-like conduction is occurring. The calculated shape of the van Hove function is in reasonable agreement with the available computer simulation data, after an empirical scaling of the spectrum of fluctuating forces.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.