Electronic structure of a (12, 0) carbon nanotube encapsulated with crystalline potassium
VG But'ko, AA Gusev, TN Shevtsova… - Low Temperature …, 2009 - pubs.aip.org
The methods of density functional theory are used to perform calculations of the band
structure of a “zigzag”(12, 0) carbon nanotube, both ideal and filled with one-dimensional
tetragonal crystalline potassium. The calculations take account of optimization of the
structural parameters. It is shown that, in contrast to the case of a nanotube with a one-
dimensional potassium chain, not only the surface of the nanotube but also its metal core
conduct.
structure of a “zigzag”(12, 0) carbon nanotube, both ideal and filled with one-dimensional
tetragonal crystalline potassium. The calculations take account of optimization of the
structural parameters. It is shown that, in contrast to the case of a nanotube with a one-
dimensional potassium chain, not only the surface of the nanotube but also its metal core
conduct.