Geometrical and electronic structures of the (5, 3) single-walled gold nanotube from first-principles calculations

Details Geometrical and electronic structures of the (5, 3) single-walled gold nanotube from first-principles calculations Geometrical and electronic structures of the (5, 3) single-walled gold nanotube from first-principles calculations

2007-07-17

arxiv.org/abs/0707.2495v1

Physical Review B 71, 233403 (2005)

Physics

Condensed Matter

Materials Science

11 pages, 4 figures

Scientific paper

10.1103/PhysRevB.71.233403

The geometrical and electronic structures of the 4 {\AA} diameter perfect and deformed (5, 3) single-walled gold nanotube (SWGT) have been studied based upon the density-functional theory in the local-density approximation (LDA). The calculated relaxed geometries show clearly significant deviations from those of the ideally rolled triangular gold sheet. It is found that the different strains have different effects on the electronic structures and density of states of the SWGTs. And the small shear strain can reduce the binding energy per gold atom of the deformed SWGT, which is consistent with the experimentally observed result. Finally, we found the finite SWGT can show the metal-semiconductor transition.

Affiliated with

Also associated with

No associations

Rating

Geometrical and electronic structures of the (5, 3) single-walled gold nanotube from first-principles calculations does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Geometrical and electronic structures of the (5, 3) single-walled gold nanotube from first-principles calculations, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Geometrical and electronic structures of the (5, 3) single-walled gold nanotube from first-principles calculations will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-562607