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 sele...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.展开更多
基金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, China （Grant No 030060）.
文摘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.
