Static and optical transverse and longitudinal screened polarizabilities of boron nitride nanotubes

被引:16
作者
Wang, Lu
Lu, Jing [1 ]
Lai, Lin
Song, Wei
Ni, Ming
Gao, Zhengxiang
Mei, Wai Ning
机构
[1] Peking Univ, Dept Phys, Mesoscop Phys Lab, Beijing 100871, Peoples R China
[2] Univ Nebraska, Dept Phys, Omaha, NE 68182 USA
关键词
D O I
10.1021/jp065644t
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We have investigated static and optical transverse and longitudinal screened polarizabilitics 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.
引用
收藏
页码:3285 / 3289
页数:5
相关论文
共 33 条
[1]   Carbon nanotubes - the route toward applications [J].
Baughman, RH ;
Zakhidov, AA ;
de Heer, WA .
SCIENCE, 2002, 297 (5582) :787-792
[2]   STATIC POLARIZABILITIES OF SINGLE-WALL CARBON NANOTUBES [J].
BENEDICT, LX ;
LOUIE, SG ;
COHEN, ML .
PHYSICAL REVIEW B, 1995, 52 (11) :8541-8549
[3]   STABILITY AND BAND-GAP CONSTANCY OF BORON-NITRIDE NANOTUBES [J].
BLASE, X ;
RUBIO, A ;
LOUIE, SG ;
COHEN, ML .
EUROPHYSICS LETTERS, 1994, 28 (05) :335-340
[4]   Longitudinal polarizability of carbon nanotubes [J].
Brothers, Edward N. ;
Scuseria, Gustavo E. ;
Kudin, Konstantin N. .
JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (26) :12860-12864
[5]   Transverse polarizabilities of carbon nanotubes: A Hartree-Fock and density functional study [J].
Brothers, EN ;
Kudin, KN ;
Scuseria, GE ;
Bauschlicher, CW .
PHYSICAL REVIEW B, 2005, 72 (03)
[6]   Coaxial carbon nanotubes as shielded nanowires [J].
Brothers, EN ;
Scuseria, GE ;
Kudin, KN .
JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (04)
[7]   BORON-NITRIDE NANOTUBES [J].
CHOPRA, NG ;
LUYKEN, RJ ;
CHERREY, K ;
CRESPI, VH ;
COHEN, ML ;
LOUIE, SG ;
ZETTL, A .
SCIENCE, 1995, 269 (5226) :966-967
[8]   Effective medium theory of the optical properties of aligned carbon nanotubes [J].
Garcia-Vidal, FJ ;
Pitarke, JM ;
Pendry, JB .
PHYSICAL REVIEW LETTERS, 1997, 78 (22) :4289-4292
[9]   Dynamical matrices, born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory [J].
Gonze, X ;
Lee, C .
PHYSICAL REVIEW B, 1997, 55 (16) :10355-10368
[10]   First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm. [J].
Gonze, X .
PHYSICAL REVIEW B, 1997, 55 (16) :10337-10354