Electronic properties of NiCl$_2$ tubular nanostructures
| dc.creator | Ivanovskaya, V. V. | |
| dc.creator | Enyashin, A. N. | |
| dc.creator | Medvedeva, N. I. | |
| dc.creator | Ivanovskii, A. L. | |
| dc.date | 2003-04-10 | |
| dc.date.accessioned | 2026-07-07T02:50:43Z | |
| dc.date.available | 2026-07-07T02:50:43Z | |
| dc.description | Atomic models of zigzag (n, 0)- and armchair (n,n)-like NiCl2 nanotubes (n = 4 - 29) formed by rolling (100) single layers of the bulk NiCl2 which crystallizes in the CdCl2-type structure, are constructed and their electronic properties and bond indices are investigated using the tight-binding band theory. The calculations performed show that all the considered nanotubes in non-magnetic state are uniformly metallic-like. The density of states at the Fermi level contains a considerable contribution from Ni3d states, its value depends on the atomic configuration and diameter of the tubes. The Ni-Cl covalent bonds were found in NiCl2 tubes, whereas Ni-Ni and Cl-Cl covalent interactions are almost absent. According our estimations, the zigzag (n, 0)-like NiCl2 nanotubes are more energetically favorable. | |
| dc.description | 6 pages, 3 figures, 2 tables | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0304230 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0304230 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/21198 | |
| dc.subject | Materials Science | |
| dc.title | Electronic properties of NiCl$_2$ tubular nanostructures | |
| dc.type | text |