SCATTERING BY AN ADSORBED CHAIN ON METALLIC HEXAGONAL SURFACE

Abstract

We develop a theoretical approach to calculate the scattering and localization properties in the inhomogeneous hexagonal nanostructure system with adsorbed chain. Our numerical results are presented for three different positions of the defect, Top, Hollow and Bridge. The breakdown of translation symmetry induced by the inhomogeneity, gives rise to localized elastic wave modes at its neighborhood. The Landauer and Buttiker method is used to analyze the elastic wave scattering phenomena for atomic sites that constitute a minimum representation set in the neighborhood of the defect. The transmission and reflection probabilities as well as the phonons average transmittance across and the vibration density of states are determined for a large band of incident scattering energies. The coherent coupling between the localized elastic wave and the propagating modes of the perfect hexagonal structure leads to Fano resonances in the phononic conductance spectra of the studied structure. This is directly related to the measurable physical thermal conductivity of the perturbed domain.