Universal behavior of nearly free electron states in carbon nanotubes

被引:62
作者
Margine, ER [1 ]
Crespi, VH [1 ]
机构
[1] Penn State Univ, Dept Phys, University Pk, PA 16802 USA
关键词
D O I
10.1103/PhysRevLett.96.196803
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The nearly free electron state of a carbon nanotube drops rapidly in energy relative to the other conduction bands under alkali doping. A natural (and previously proposed) explanation for this rapid downshift is hybridization with the potassium 4s states. However, we show that the downshift occurs even when the extra electrons are compensated by a uniform positive background, wherein there can be no hybridization, since there are no alkali atoms. Instead, the motion of the nearly free band arises from a universal electrostatic mechanism, which applies for any type of positive countercharge independent of tube diameter and helicity. The nearly free electron state, being weakly bound to the tube wall, is extraordinarily labile and deforms onto the countercharge, whereas the remaining pi(*) conduction band states are held to the surface of the carbon sheet by the strong carbon potential.
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页数:4
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共 22 条
[1]  
BLOCHL PE, 1994, PHYS REV B, V50, P1953
[2]   ELECTROSTATICS OF EDGE CHANNELS [J].
CHKLOVSKII, DB ;
SHKLOVSKII, BI ;
GLAZMAN, LI .
PHYSICAL REVIEW B, 1992, 46 (07) :4026-4034
[3]   Electrochemical gating of individual single-wall carbon nanotubes observed by electron transport measurements and resonant Raman spectroscopy [J].
Cronin, SB ;
Barnett, R ;
Tinkham, M ;
Chou, SG ;
Rabin, O ;
Dresselhaus, MS ;
Swan, AK ;
Unlü, MS ;
Goldberg, BB .
APPLIED PHYSICS LETTERS, 2004, 84 (12) :2052-2054
[4]   The role of the interlayer state in the electronic structure of superconducting graphite intercalated compounds [J].
Csányi, G ;
Littlewood, PB ;
Nevidomskyy, AH ;
Pickard, CJ ;
Simons, BD .
NATURE PHYSICS, 2005, 1 (01) :42-45
[5]   Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].
Kresse, G ;
Furthmuller, J .
PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186
[6]   ABINITIO MOLECULAR-DYNAMICS FOR LIQUID-METALS [J].
KRESSE, G ;
HAFNER, J .
PHYSICAL REVIEW B, 1993, 47 (01) :558-561
[7]   Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set [J].
Kresse, G ;
Furthmuller, J .
COMPUTATIONAL MATERIALS SCIENCE, 1996, 6 (01) :15-50
[8]   NORM-CONSERVING AND ULTRASOFT PSEUDOPOTENTIALS FOR FIRST-ROW AND TRANSITION-ELEMENTS [J].
KRESSE, G ;
HAFNER, J .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1994, 6 (40) :8245-8257
[9]   Conductivity enhancement in single-walled carbon nanotube bundles doped with K and Br [J].
Lee, RS ;
Kim, HJ ;
Fischer, JE ;
Thess, A ;
Smalley, RE .
NATURE, 1997, 388 (6639) :255-257
[10]   Energetic, geometric, and electronic evolutions of K-doped single-wall carbon nanotube ropes with K intercalation concentration [J].
Lu, J ;
Nagase, S ;
Zhang, S ;
Peng, LM .
PHYSICAL REVIEW B, 2004, 69 (20) :205304-1