Band-gap change of carbon nanotubes: Effect of small uniaxial and torsional strain

被引:372
作者
Yang, L
Anantram, MP
Han, J
Lu, JP
机构
[1] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA
[2] NASA, Ames Res Ctr, Thermosci Inst, Moffett Field, CA 94035 USA
[3] Univ N Carolina, Chapel Hill, NC 27599 USA
关键词
D O I
10.1103/PhysRevB.60.13874
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We use a simple picture based on the pi electron approximation to study the band-gap variation of carbon nanotubes with uniaxial and torsional strain. We find (i) that the magnitude of slope of band gap versus strain has an almost universal behavior that depends on the chiral angle, (ii) that the sign of slope depends on the value of (n - m) mod 3, and (iii) a novel change in sign of the slope of band gap versus uniaxial strain arising from a change in the value of the quantum number corresponding to the minimum band gap. Four orbital calculations are also presented to show that the pi orbital results are valid. [S0163-1829(99)00841-9].
引用
收藏
页码:13874 / 13878
页数:5
相关论文
共 19 条
[1]  
Brenner D. W., 1998, INTERPLANET SOC, V51, P137
[2]   EMPIRICAL POTENTIAL FOR HYDROCARBONS FOR USE IN SIMULATING THE CHEMICAL VAPOR-DEPOSITION OF DIAMOND FILMS [J].
BRENNER, DW .
PHYSICAL REVIEW B, 1990, 42 (15) :9458-9471
[3]  
DRESSELHAUS MS, 1996, SCI FULLERENES CARBO, pCH19
[4]   NEW ONE-DIMENSIONAL CONDUCTORS - GRAPHITIC MICROTUBULES [J].
HAMADA, N ;
SAWADA, S ;
OSHIYAMA, A .
PHYSICAL REVIEW LETTERS, 1992, 68 (10) :1579-1581
[5]  
Harrison W. A., 1989, ELECT STRUCTURE PROP
[6]   Uniaxial-stress effects on the electronic properties of carbon nanotubes [J].
Heyd, R ;
Charlier, A ;
McRae, E .
PHYSICAL REVIEW B, 1997, 55 (11) :6820-6824
[7]   ELECTRONIC TRANSPARENCY OF A SINGLE C-60 MOLECULE [J].
JOACHIM, C ;
GIMZEWSKI, JK ;
SCHLITTLER, RR ;
CHAVY, C .
PHYSICAL REVIEW LETTERS, 1995, 74 (11) :2102-2105
[8]   Size, shape, and low energy electronic structure of carbon nanotubes [J].
Kane, CL ;
Mele, EJ .
PHYSICAL REVIEW LETTERS, 1997, 78 (10) :1932-1935
[9]   ARE FULLERENE TUBULES METALLIC [J].
MINTMIRE, JW ;
DUNLAP, BI ;
WHITE, CT .
PHYSICAL REVIEW LETTERS, 1992, 68 (05) :631-634
[10]   Mechanism of strain release in carbon nanotubes [J].
Nardelli, MB ;
Yakobson, BI ;
Bernholc, J .
PHYSICAL REVIEW B, 1998, 57 (08) :R4277-R4280