Half-Metallicity in Undoped and Boron Doped Graphene Nanoribbons in Presence of Semi-local Exchange-Correlation Interactions
| dc.creator | Dutta, Sudipta | |
| dc.creator | Pati, Swapan K. | |
| dc.date | 2007-12-26 | |
| dc.date.accessioned | 2026-07-07T09:44:05Z | |
| dc.date.available | 2026-07-07T09:44:05Z | |
| dc.description | We perform density functional calculations on one-dimensional zigzag edge graphene nano-ribbons (ZGNRs) of different widths, with and without edge doping including semi-local exchange-correlations. Our study reveals that, although the ground state of edge passivated (with hydrogen) ZGNRs prefers to be anti-ferromagnetic, the doping of both the edges with Boron atoms stabilizes the system in a ferromagnetic ground state. Both the local and semi-local exchange-correlations result in half-metallicity in edge passivated ZGNRs at a finite cross-ribbon electric field. However, the ZGNR with Boron edges shows half-metallic behavior irrespective of the ribbon-width even in absence of electric field and this property sustains for any field strength, opening a huge possibility of applications in spintronics. | |
| dc.description | 13 pages, 4 figures | |
| dc.identifier | https://arxiv.org/abs/0712.4130 | |
| dc.identifier | http://arxiv.org/abs/0712.4130 | |
| dc.identifier | J. Phys. Chem. B (Letters) 112, 1333 (2008) | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/162744 | |
| dc.subject | Materials Science | |
| dc.title | Half-Metallicity in Undoped and Boron Doped Graphene Nanoribbons in Presence of Semi-local Exchange-Correlation Interactions | |
| dc.type | text |