An Instability Condition for the Hartree-Fock Solution of the Infinite One-Dimensional System with Two-Crossing Bands. I. Singlet-Instability Check of Metallic Carbon Nanotube

Abstract

An instability condition is derived for the Hartree-Fock solution so that it can be applied to the system in which the highest occupied and the lowest unoccupied bands cross at the in-between point in the Brillouin zone. The instability check developed here is further applied to a metallic single-walled carbon nanotube having the two-crossing bands toward prediction of its instability. © 2000 John Wiley & Sons, Inc.