dc.contributor.author | SANVITO, STEFANO | en |
dc.contributor.author | RUNGGER, IVAN | en |
dc.date.accessioned | 2014-02-03T14:35:23Z | |
dc.date.available | 2014-02-03T14:35:23Z | |
dc.date.issued | 2009 | en |
dc.date.submitted | 2009 | en |
dc.identifier.citation | X. H. Zheng, I. Rungger, Z. Zeng, and S. Sanvito, Effects induced by single and multiple dopants on the transport properties in zigzag-edged graphene nanoribbons, Physics Review B, 80, 2009, 235426 | en |
dc.identifier.other | Y | en |
dc.description | PUBLISHED | en |
dc.description.abstract | The effects of boron and nitrogen doping on the transport properties of zigzag-edged graphene nanoribbons
ZGNRs
with antiferromagnetically coupled edge states are investigated by first-principles electronic structure
combined with a nonequilibrium Green?s function technique. Specifically, the effects produced by single and
multiple impurities as a function of their distance from the edges are analyzed. It is found that the introduction
of single B or N atoms induces bound states and quasibound states in ZGNRs, which can be observed as dips
or peaks in the electron transmission function. In particular, the transmission channel associated to the edge
states is strongly suppressed when the impurities are close to the edges. Multiple impurities in general interfere
and modify further the transmission function. However, if the impurities are placed at positions such that the
associated bound and quasibound states appear at opposite sides of the Fermi level, then the transmission can
be rationalized as a simple superposition of the transmission function of individually doped ribbons. Finally, an
interesting situation appears for B and N codoping, since fully spin-polarized transmission peaks are generated
at energies corresponding to the ribbon gap. This offers the hope of using such nanoribbons for low-bias
spin-polarized tunneling in spintronics applications | en |
dc.description.sponsorship | This work was supported by the National Science Foun-
dation of China under Grants No. 10774148 and No.
10904148, the Special Funds for Major State Basic Research
Project of China
973
under Grant No. 2007CB925004, 863
Project, Knowledge Innovation Program of the Chinese
Academy of Sciences, and Director Grants of CASHIPS.
Part of the calculations were performed at the Center for
Computational Science of CASHIPS and the Shanghai Su-
percomputer Center, and at the Irish Centre for High End
Computing. The SMEAGOL project
I.R. and S.S.
is sup-
ported by the Science Foundation of Ireland | en |
dc.format.extent | 235426 | en |
dc.language.iso | en | en |
dc.relation.ispartofseries | Physics Review B | en |
dc.relation.ispartofseries | 80 | en |
dc.rights | Y | en |
dc.subject | Physics | en |
dc.title | Effects induced by single and multiple dopants on the transport properties in zigzag-edged graphene nanoribbons | en |
dc.type | Journal Article | en |
dc.type.supercollection | scholarly_publications | en |
dc.type.supercollection | refereed_publications | en |
dc.identifier.peoplefinderurl | http://people.tcd.ie/sanvitos | en |
dc.identifier.rssinternalid | 64903 | en |
dc.identifier.doi | http://dx.doi.org/10.1103/PhysRevB.80.235426 | en |
dc.rights.ecaccessrights | OpenAccess | |
dc.identifier.rssuri | http://prb.aps.org/abstract/PRB/v80/i23/e235426 | en |
dc.contributor.sponsor | National Natural Science Foundation of China (60703033). | en |
dc.contributor.sponsorGrantNumber | 10904148 | en |
dc.contributor.sponsor | National Natural Science Foundation of China (60703033). | en |
dc.contributor.sponsorGrantNumber | 0774148 | en |
dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
dc.contributor.sponsorGrantNumber | 07/IN.1/I945 | en |
dc.identifier.uri | http://hdl.handle.net/2262/67980 | |