Wall "thickness" effects on Raman spectrum shift, thermal conductivity, and Young's modulus of single walled nanotubes

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dc.creatorZhang, Gang
dc.creatorLi, Baowen
dc.date2004-06-22
dc.date2005-11-02
dc.date.accessioned2026-07-07T06:36:35Z
dc.date.available2026-07-07T06:36:35Z
dc.descriptionWe theoretically demonstrate that at a finite temperature, an effective wall thickness of a single walled carbon nanotube (SWNT) should be $W=W_s+W_d$, where $W_s$ is the static thickness defined as the extension of the outmost electronic orbit and $W_d$ the dynamic thickness due to thermal vibration of atoms. Both molecular simulations and a theoretical analysis show that $W_d$ is proportional to $\sqrt{T}$. We find that the increase of dynamic thickness with temperature is the main mechanism of Raman spectrum shift. The introduction of dynamic thickness changes some conclusions about the Young's modulus and reduces the values of thermal conductivity.
dc.description4 pages, 4 figures. accepted by J. Phys. Chem
dc.identifierhttps://arxiv.org/abs/cond-mat/0406498
dc.identifierhttp://arxiv.org/abs/cond-mat/0406498
dc.identifierJ. Phys. Chem. B 2005, 109, 23823
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/100129
dc.subjectMesoscale and Nanoscale Physics
dc.subjectMaterials Science
dc.titleWall "thickness" effects on Raman spectrum shift, thermal conductivity, and Young's modulus of single walled nanotubes
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