Fantastic parity effects on the electronic and magnetic properties of zigzag graphene nanoribbons with side-attached trans-polyacetylene
1 School of Physics and Electronics Science, Hunan University - Changsha 410082, China
2 School of Optoelectronic Information, University of Electronic Science and Technology of China Chengdu, Sichuan, 610054, China
Received: 10 May 2015
Accepted: 30 June 2015
Using first-principles calculations, we investigate the electronic and magnetic properties of zigzag graphene nanoribbons (ZGNRs) with side-attached trans-polyacetylene (CnHn+1). The band gap is strongly dependent on the number n of C atoms in the polyacetylene chain: the gap of the system with even n is much bigger than that with odd n+1, whereas the parity dependence of n is gradually weakened with an increasing n. Moreover, the magnetic moment oscillation between 1 and , with n odd and even, also reveals a parity effect due to the electron transfer from the ZGNRs to polyacetylene chain with odd n.
PACS: 73.20.At – Surface states, band structure, electron density of states / 75.70.Ak – Magnetic properties of monolayers and thin films / 73.22.Pr – Electronic structure of graphene
© EPLA, 2015