Computer Modeling of Electronic Properties of Scroll-like V2O5-based Nanotubes
Materials Science
2007-05-23 v1
Abstract
Atomic models of quasi-one-dimensional 1D vanadium oxide nanostructures - nanotubes of various morphology (cylinder or scroll-like) formed by rolling (010) single layers of V2O5 are constructed and their electronic properties are studied using the tight-binding band theory. Compared to the cylindrical zigzag (n,0) and armchair (n,n)-like nanotubes, which are uniformly semi-conducting with the bang gap of about 2.5-2.7 eV, the band gap of the scroll-like tubes trends significantly to vanish (up to about 0.1 eV) depending on the atomic configurations of the tubes and inter-wall distances.
Keywords
Cite
@article{arxiv.cond-mat/0309179,
title = {Computer Modeling of Electronic Properties of Scroll-like V2O5-based Nanotubes},
author = {A. N. Enyashin and V. V. Ivanovskaya and Yu. N. Makurin and A. L. Ivanovskii},
journal= {arXiv preprint arXiv:cond-mat/0309179},
year = {2007}
}
Comments
6 pages, 3 figures