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Temperature Dependence of the Band Gap of Semiconducting Carbon Nanotubes | | Rodrigo B. Capaz
; Catalin D. Spataru
; Paul Tangney
; Marvin L. Cohen
; Steven G. Louie
; | | Date: |
9 Dec 2004 | | Subject: | Materials Science | cond-mat.mtrl-sci | | Abstract: | The temperature dependence of the band gap of semiconducting single-wall carbon nanotubes (SWNTs) is calculated by direct evaluation of electron-phonon couplings within a ``frozen-phonon’’ scheme. An interesting diameter and chirality dependence of $E_g(T)$ is obtained, including non-monotonic behavior for certain tubes and distinct ``family’’ behavior. These results are traced to a strong and complex coupling between band-edge states and the lowest-energy optical phonon modes in SWNTs. The $E_g(T)$ curves are modeled by an analytic function with diameter and chirality dependent parameters; these provide a valuable guide for systematic estimates of $E_g(T)$ for any given SWNT. Magnitudes of the temperature shifts at 300 K are smaller than 12 meV and should not affect $(n,m)$ assignments based on optical measurements. | | Source: | arXiv, cond-mat/0412252 | | Other source: | [GID 131348] pmid15698300 | | Services: | Forum | Review | PDF | Favorites | |
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