Intrinsic localized modes in two atomic chain; reduction of cubic anharmonicity for gap modes

TL;DR

This paper presents an analytical theory showing that in a two-atomic anharmonic chain, intrinsic localized modes near phonon gap edges are dominated by quartic anharmonicity due to reduced cubic effects, altering their formation and frequency behavior.

Contribution

It introduces a new analytical approach demonstrating the reduction of cubic anharmonicity in ILMs, explaining their frequency placement relative to phonon bands.

Findings

ILMs near phonon gap edges are governed by quartic anharmonicity.

Cubic anharmonicity reduction prevents ILMs from splitting down from the optical band.

ILMs can split up from the top of the acoustic band, enabling frequencies above the spectrum.

Abstract

Analytical theory of large size intrinsic localized modes (ILMs) in anharmonic two-atomic chain is presented. It is shown that ILMs with frequencies close to the borders of phonon gap are govern by quartic anharmonicity while the effect of cubic anharmonicity is essentially reduced. This reduction effect is a consequence of small amplitude of vibrations of every second atom. As a result, an ILM cannot split down from the optical phonon band, in contradiction with the commonly accepted point of view. But it can spit up from the top of the acoustic phonon band making possible the existence of the ILM with the frequencies above the top of this band. It is predicted that analogous reduction of cubic anharmonicity should exist generally for even ILMs with the middle atom being at rest; it may allow the existence of ILMs with the frequencies above the top of the phonon spectrum in different lattices with realistic atomic pair-potentials.