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期刊论文
Metal-semiconductor and semiconductor-semiconductor transitions in carbon nanotubes induced by intercalating alkali atoms
PHYSICAL REVIEW B 71, 165438 (2005),-0001,():
We show that the intercalating of alkali atoms with adequate concentration can transform a metallic singlewalledcarbon nanotube sSWCNTd into a semiconductor tube or a semiconductor SWCNT into a semiconductortube with different band gaps due to a unique feature of the band structures in some SWCNTs as quasione-dimensional materials. As examples, we predict the intercalated structure Li2C60 in the s5,0d tube to be asemiconductor while the pure s5,0d tube is a metal and the structure Li2C112 in the s4,2d tube to be a semiconductorwith a direct gap while the pure (4,2) tube has an indirect gap. Results of other alkali atomsintercalating in various carbon nanotubes show that this transition mechanism is quite general.
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