Family behavior of the optical transition energies in single-wall carbon nanotubes of smaller diameters
Family behavior of the optical transition energies in single-wall carbon nanotubes of smaller diameters
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DOI：
10.1063/1.1829160
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发表时间：
2004-12
影响因子：
4
通讯作者：
G. Samsonidze;R. Saito;N. Kobayashi;A. Grüneis;Jie Jiang;A. Jorio;S. Chou;G. Dresselhaus;M. Dresselhaus
中科院分区：
文献类型：
--
作者：
G. Samsonidze;R. Saito;N. Kobayashi;A. Grüneis;Jie Jiang;A. Jorio;S. Chou;G. Dresselhaus;M. Dresselhaus
使用允许键长和角度变化的扩展紧束缚模型，单壁碳纳米管中的光学跃迁能 Eii 被计算为反管直径的函数。经过几何结构优化后，获得了光致发光（PL）实验中观察到的2n+m=常数族行为，并且在包含多体校正后，计算结果与PL实验之间达到了详细的一致性。
Using the extended tight-binding model that allows bond lengths and angles to vary, the optical transition energies Eii in single-wall carbon nanotubes are calculated as a function of inverse tube diameter. After geometrical structure optimization, the 2n+m=constant family behavior observed in photoluminescence (PL) experiments is obtained, and detailed agreement between the calculations and PL experiments is achieved after including many-body corrections.