Abstract
AbstractThe smallest possible inner tube diameter in a double walled carbon nanotube is the zero diameter inner tube, in other words, an infinite linear carbon chain. In this work, we present a first principles study of the vibrational properties of the infinite carbon chain, employing a novel linear/exponential scaling scheme based on the intrinsic behavior of the long range force constant couplings in quasi one‐dimensional chains. The longitudinal optical Raman active frequency is predicted at 1870–1877 cm–1, in contrast to the widely accepted values in the 2000–2200 cm–1 range. Our results provide further evidence for the assignment of the characteristic Raman peaks near 1850 cm–1 of the recently discovered long linear carbon chains encapsulated inside multi‐walled or double walled carbon nanotubes. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
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