【摘 要】
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In this paper, we investigate the length dependence of linear and nonlinear optical properties of finite-length BN nanotubes. The recently predicted smallest BN
【机 构】
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State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matte
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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 (1, the energy gap will saturate at about 3.2 eV, which agrees well with the corrected quasiparticle 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.
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