Tight-binding normal mode analysis of suspended single-wall carbon nanotubes
University “Babeş-Bolyai”, Faculty of Physics, Department of Biomolecular Physics - 400084 Cluj-Napoca, Romania
Received: 3 December 2015
Accepted: 13 February 2016
We present a detailed normal mode analysis of suspended single-wall carbon nanotubes based on a non-orthogonal tight-binding formalism and a new methodology for classifying vibrational modes, using geometry-adapted merit functions. The fundamental modes are in good agreement with experiments and previous calculations. The analysis of the high-order vibrations evidences interesting non-classical features, while the sensitivity of the normal modes to the nanotube geometry provides new insights useful for practical realizations of mass resonators.
PACS: 71.15.Nc – Total energy and cohesive energy calculations / 78.20.Bh – Theory, models, and numerical simulation / 78.30.Na – Fullerenes and related materials
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