Nano Science and Technology Institute
Nanotech 2002 Vol. 2
Nanotech 2002 Vol. 2
Technical Proceedings of the 2002 International Conference on Computational Nanoscience and Nanotechnology
Chapter 13: Nanoscale Modeling for Condensed-Matter Phenomena

An Effective Model for Microscopic Intrinsic Localized Modes

Authors:G. Kalosakas and A.R. Bishop
Affilation:Los Alamos National Laboratory, US
Pages:330 - 333
Keywords:intrinsic localized modes, breathers, over-tone red-shifts, isotopic disorder, PtCl Raman spectra
Abstract:We present a system of coupled degrees of freedom that can effectively describe the localization of intra-molecular excitations in the charge transfer solid PtCl. These excitations correspond to the Raman active motion of chlorines (symmetric Pt - Cl stretching). By fitting two parameters of the model we obtain an accurate description of the strong red-shifts that appear in the overtone Raman spectra of the isotopically pure material. The resulting intrinsic localized modes extend on length scales of the order of nanometers. With the same set of parameters the model can reproduce the specific structure of the Raman spectra of naturally abundant PtCl, which contains a random distribution of chloride isotopes.
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