中国物理B ›› 2006, Vol. 15 ›› Issue (7): 1563-1569.doi: 10.1088/1009-1963/15/7/031

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Length dependence of linear and nonlinear optical properties of finite-length BN(5,0) nanotube

蓝尤钊, 吴东升, 黄淑萍, 沈娟, 李飞飞, 程文旦   

  1. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter,The Graduate School of The Chinese Academy of Sciences, Fuzhou 350002, China
  • 收稿日期:2005-08-28 修回日期:2006-04-10 出版日期:2006-07-20 发布日期:2006-07-20
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos 20373073 and 90201015), the Science Foundation of Fujian Province, China (Grant Nos E0210028 and 2002F010), and the Foundation of State Key Laboratory of Structural Chemistry

Length dependence of linear and nonlinear optical properties of finite-length BN(5,0) nanotube

Lan You-Zhao (蓝尤钊), Wu Dong-Sheng (吴东升), Huang Shu-Ping (黄淑萍), Shen Juan (沈娟), Li Fei-Fei (李飞飞), Cheng Wen-Dan (程文旦)   

  1. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter,The Graduate School of The Chinese Academy of Sciences, Fuzhou 350002, China
  • Received:2005-08-28 Revised:2006-04-10 Online:2006-07-20 Published:2006-07-20
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos 20373073 and 90201015), the Science Foundation of Fujian Province, China (Grant Nos E0210028 and 2002F010), and the Foundation of State Key Laboratory of Structural Chemistry

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摘要： In this paper, we investigate the length dependence of linear and nonlinear optical properties of finite-length BN nanotubes. The recently predicted smallest BN(5,0) nanotube with configuration stabilization is selected as an example. The energy gap and optical gap show the obvious length dependence with the increase of nanotube length. When the length reaches about 24 {\AA}, the energy gap will saturate at about 3.2 eV, which agrees well with the corrected quasi-particle energy gap. The third-order polarizabilities increase with the increase of tube length. Two-photon allowed excited states have significant contributions to the third-order polarizabilities of BN(5,0) nanotube.

关键词: boron nitride nanotube, length-dependence, optical properties

Abstract: In this paper, we investigate the length dependence of linear and nonlinear optical properties of finite-length BN nanotubes. The recently predicted smallest BN(5,0) nanotube with configuration stabilization is selected as an example. The energy gap and optical gap show the obvious length dependence with the increase of nanotube length. When the length reaches about 24 ?, the energy gap will saturate at about 3.2 eV, which agrees well with the corrected quasi-particle energy gap. The third-order polarizabilities increase with the increase of tube length. Two-photon allowed excited states have significant contributions to the third-order polarizabilities of BN(5,0) nanotube.

Key words: boron nitride nanotube, length-dependence, optical properties

中图分类号:  (Optical constants (including refractive index, complex dielectric constant, absorption, reflection and transmission coefficients, emissivity))

  • 78.20.Ci
42.65.Ky (Frequency conversion; harmonic generation, including higher-order harmonic generation) 61.46.Fg (Nanotubes) 71.15.Mb (Density functional theory, local density approximation, gradient and other corrections) 73.22.-f (Electronic structure of nanoscale materials and related systems) 78.67.Ch (Nanotubes)