ENERGY-GAP OF ALTERNANT CARBON NANOTUBES

被引:3
|
作者
TYUTYULKOV, N
DIETZ, F
BAUMGARTEN, M
MULLEN, K
机构
[1] UNIV LEIPZIG,FAK CHEM & MINERAL,D-04105 LEIPZIG,GERMANY
[2] MAX PLANCK INST POLYMER RES,D-55128 MAINZ,GERMANY
[3] UNIV SOFIA,FAC CHEM,BU-1126 SOFIA,BULGARIA
关键词
D O I
10.1002/mats.1995.040040511
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
The energy spectra of two types of non-helical carbon nanotubes are investigated theoretically. It is shown that either the topological or the correlational contributions determine the width of the band gap. In some cases (for nanotubes with diameter <1 nm) the electron correlation changes qualitatively the results for the width of the energy gap Delta E: if in the one-electron approximation the band width Delta E = 0, the contribution of the electron correlation becomes dominant and increases the band gap Delta E > 0. At small diameter of the nanotubes (D < 1 nm) the ground state of the tubes corresponds to semiconductors with moderate or narrow energy gap, while at D > 1 nm Delta E decreases monotonously. The energy spectra of the planar ribbon polymers are compared with those of the iso-electronic nanotubes.
引用
收藏
页码:991 / 1000
页数:10
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