Structure factors of harmonic and anharmonic Fibonacci chains by molecular dynamics simulations

Engel M, Sonntag S, Lipp H, Trebin HR (2007)

Publication Language: English

Publication Status: Published

Publication Type: Journal article, Original article

Publication year: 2007

Journal

Physical Review B American Physical Society

Publisher: American Physical Society

Book Volume: 75

Journal Issue: 14

DOI: 10.1103/PhysRevB.75.144203

Abstract

The dynamics of quasicrystals is characterized by the existence of phason excitations in addition to the usual phonon modes. In order to investigate their interplay on an elementary level we resort to various one-dimensional model systems. The main observables are the static, the incoherent, and the coherent structure factor, which are extracted from molecular dynamics simulations. For the validation of the algorithms, results for the harmonic periodic chain are presented. We then study the Fibonacci chain with harmonic and anharmonic interaction potentials. In the dynamic Fibonacci chain neighboring atoms interact by double-well potentials allowing for phason flips. The difference between the structure factors of the dynamic and the harmonic Fibonacci chain lies in the temperature dependence of the phonon line width. If a bias is introduced in the well depth, dispersionless optic phonon bands split off.

Authors with CRIS profile

Michael Engel Lehrstuhl für Multiscale Simulation of Particulate Systems

Involved external institutions

Universität Stuttgart DE Germany (DE)

How to cite

APA:

Engel, M., Sonntag, S., Lipp, H., & Trebin, H.-R. (2007). Structure factors of harmonic and anharmonic Fibonacci chains by molecular dynamics simulations. Physical Review B, 75(14). https://dx.doi.org/10.1103/PhysRevB.75.144203

MLA:

Engel, Michael, et al. "Structure factors of harmonic and anharmonic Fibonacci chains by molecular dynamics simulations." Physical Review B 75.14 (2007).

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