scholarly journals Single-walled carbon nanotube bundle under hydrostatic pressure studied by first-principles calculations

2006 ◽  
Vol 73 (23) ◽  
Author(s):  
Xiaoping Yang ◽  
Gang Wu ◽  
Jian Zhou ◽  
Jinming Dong
Keyword(s):  
Carbon Nanotube ◽  
Hydrostatic Pressure ◽  
First Principles ◽  
First Principles Calculations ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Nanotube Bundle

STRUCTURAL AND ELECTRONIC PROPERTIES OF ONE DIMENSIONAL KxC60 CRYSTAL ENCAPSULATED IN CARBON NANOTUBE

2007 ◽  
Vol 21 (10) ◽  
pp. 1705-1714 ◽  
Author(s):  
WEI SONG ◽  
JING LU ◽  
ZHENGXIANG GAO ◽  
MING NI ◽  
LUNHUI GUAN ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Fermi Level ◽  
Electronic Properties ◽  
Density Of States ◽  
First Principles ◽  
First Principles Calculations ◽  
Single Walled Carbon Nanotube ◽  
One Dimensional ◽  
Single Walled Carbon ◽  
Structural And Electronic Properties

The structural and electronic properties of potential one dimensional (1D) superconductor — K x C 60 chain encapsulated inside a single-walled carbon nanotube is studied using first principles calculations. The stoichiometry of K to C 60 of the 1D K x C 60 crystal can reach 9, in contrast to a maximal stoichiometry of 6 found in the K doped bulk fullerides. The K 4s electrons are completely ionized, and fill chiefly the C 60-derived bands in a nonrigid way. The density of states at the Fermi level of the encapsulated 1D K x C 60 crystal is comparable to that in K doped bulk fullerides.

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