Static and Optical Transverse and Longitudinal Screened Polarizabilities of Boron Nitride Nanotubes
Static and Optical Transverse and Longitudinal Screened Polarizabilities of Boron Nitride Nanotubes
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DOI：
10.1021/jp065644t
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发表时间：
2007-02
影响因子：
3.7
通讯作者：
Lu Wang;Jing Lu;L. Lai;Wei-Hao Song;M. Ni;Zhengxiang Gao;W. Mei
中科院分区：
文献类型：
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作者：
Lu Wang;Jing Lu;L. Lai;Wei-Hao Song;M. Ni;Zhengxiang Gao;W. Mei
我们利用密度泛函微扰理论研究了单壁（SWBNNT）和多壁（MWBNNT）氮化硼纳米管的静态和光学横向和纵向屏蔽极化率。 SWBNNT的静态和光学横向和纵向屏蔽极化率均随半径线性增加，并且小于类似尺寸的单壁碳纳米管的极化率。发现 SWBNNT 的屏蔽光学横向极化率约为未屏蔽的一半。除了屏蔽极化率本身之外，SWBNNT 的静态极化率和光学屏蔽极化率之间的比率也表现出各向异性。与内管几乎完全被外管屏蔽的多壁碳纳米管相比，在MWBNNT中，当施加横向电场时，内管仅被外管部分屏蔽。
We have investigated static and optical transverse and longitudinal screened polarizabilities of single-walled (SWBNNT) and multiwalled (MWBNNT) boron nitride nanotubes by using the density functional perturbation theory. The static and optical transverse and longitudinal screened polarizabilities of SWBNNTs all increase linearly with the radius and are smaller than those of similar-sized single-walled carbon nanotubes. The screened optical transverse polarizabilities of SWBNNTs are found to be about half that of the unscreened ones. In addition to the screened polarizabilities themselves, the ratio between the static and optical screened polarizabilities of SWBNNTs also exhibits anisotropy. In contrast to multiwalled carbon nanotubes, where the inner tube is almost completely shielded by the outer tube, in MWBNNTs, the inner tube is only partially shielded by the outer tube when a transverse electric field is applied.