Bandgap closure of a flattened semiconductor carbon nanotube: A first-principles study

被引:93
作者
Mazzoni, MSC [1 ]
Chacham, H [1 ]
机构
[1] Univ Fed Minas Gerais, ICEx, Dept Fis, BR-30123970 Belo Horizonte, MG, Brazil
关键词
D O I
10.1063/1.126096
中图分类号
O59 [应用物理学];
学科分类号
摘要
We investigate, through first-principles calculations, the effects of a flattening distortion on the electronic properties of a semiconductor carbon nanotube. The flattening causes a progressive reduction of the band gap from 0.92 eV to zero. The band-overlap insulator-metal transition occurs for an interlayer distance of 4.6 Angstrom. Supposing that the flattening of the nanotube can be produced by a force applied by a scanning microscope tip, we estimate that the force per unit length of the nanotube that is necessary to reach the insulator-metal transition is 7.4 N/m. (C) 2000 American Institute of Physics. [S0003-6951(00)03512-9].
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页码:1561 / 1563
页数:3
相关论文
共 25 条
[1]   Stability, geometry, and electronic structure of the boron nitride B36N36 fullerene [J].
Alexandre, SS ;
Mazzoni, MSC ;
Chacham, H .
APPLIED PHYSICS LETTERS, 1999, 75 (01) :61-63
[2]   HYBRIDIZATION EFFECTS AND METALLICITY IN SMALL RADIUS CARBON NANOTUBES [J].
BLASE, X ;
BENEDICT, LX ;
SHIRLEY, EL ;
LOUIE, SG .
PHYSICAL REVIEW LETTERS, 1994, 72 (12) :1878-1881
[3]   Mechanical energy storage in carbon nanotube springs [J].
Chesnokov, SA ;
Nalimova, VA ;
Rinzler, AG ;
Smalley, RE ;
Fischer, JE .
PHYSICAL REVIEW LETTERS, 1999, 82 (02) :343-346
[4]   Bending and buckling of carbon nanotubes under large strain [J].
Falvo, MR ;
Clary, GJ ;
Taylor, RM ;
Chi, V ;
Brooks, FP ;
Washburn, S ;
Superfine, R .
NATURE, 1997, 389 (6651) :582-584
[5]   NEW ONE-DIMENSIONAL CONDUCTORS - GRAPHITIC MICROTUBULES [J].
HAMADA, N ;
SAWADA, S ;
OSHIYAMA, A .
PHYSICAL REVIEW LETTERS, 1992, 68 (10) :1579-1581
[6]   Elastic properties of single-wall nanotubes [J].
Hernández, E ;
Goze, C ;
Bernier, P ;
Rubio, A .
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 1999, 68 (03) :287-292
[7]   Elastic properties of C and BxCyNz composite nanotubes [J].
Hernandez, E ;
Goze, C ;
Bernier, P ;
Rubio, A .
PHYSICAL REVIEW LETTERS, 1998, 80 (20) :4502-4505
[8]   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
[9]   Structural flexibility of carbon nanotubes [J].
Iijima, S ;
Brabec, C ;
Maiti, A ;
Bernholc, J .
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (05) :2089-2092
[10]   HELICAL MICROTUBULES OF GRAPHITIC CARBON [J].
IIJIMA, S .
NATURE, 1991, 354 (6348) :56-58