Phonon scattering in quasi-one-dimensional structure

We introduce a model to study a symmetric nanocontact, whereby its mechanical properties can be analyzed via the vibration spectra. The model system consists of two groups of triple semi-infinite atomic chains joined by atoms in between. The matching method theoretical approach is used to calculate the coherent reflection and transmission scattering probabilities, the characteristic vibration Green functions and densities of states (DOS), for the vibration components of the individual atomic sites that constitute a complete representation of the nanocontact domain boundaries. The nanocontact observables are numerically calculated for different cases of elastic hardening and softening, to investigate how the local dynamics can respond to changes in the microscopic environment on the nanocontact domain. The analysis of the vibration spectra and the DOS demonstrate the fluctuations, related to Fano resonances, due to the coherent coupling between traveling phonons and the localized vibration modes in the nanocontact domain. (C) 2011 Published by Elsevier B.V.