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First principle studies of zigzag AlN nanoribbon

Du, Ai Jun; Zhu, Zhong Hua; Chen, Yong; Lu, Gaoqing Max; Smith, Sean C

Description

Ab initio density functional calculations were performed to study the geometry and electronic structure of a prototypical zigzag AlN nanoribbon. We find that H-terminated zigzag 10-AlN nanoribbons have a non-direct band gap and are nonmagnetic. When a transverse electric field is applied, the band gap decreases monotonically with the strength of field E. Zigzag AlN nanoribbons with the N edge unpassivated display strong spin-polarization close to the Fermi level, which will result in...[Show more]

dc.contributor.authorDu, Ai Jun
dc.contributor.authorZhu, Zhong Hua
dc.contributor.authorChen, Yong
dc.contributor.authorLu, Gaoqing Max
dc.contributor.authorSmith, Sean C
dc.date.accessioned2015-12-08T22:19:52Z
dc.identifier.issn0009-2614
dc.identifier.urihttp://hdl.handle.net/1885/31744
dc.description.abstractAb initio density functional calculations were performed to study the geometry and electronic structure of a prototypical zigzag AlN nanoribbon. We find that H-terminated zigzag 10-AlN nanoribbons have a non-direct band gap and are nonmagnetic. When a transverse electric field is applied, the band gap decreases monotonically with the strength of field E. Zigzag AlN nanoribbons with the N edge unpassivated display strong spin-polarization close to the Fermi level, which will result in spin-anisotropic transport. These results suggest potential applications for the development of AlN nanoribbon-based nanoelectronics applications.
dc.publisherElsevier
dc.sourceChemical Physics Letters
dc.subjectKeywords: Electric fields; Electronic structure; Energy gap; Ab initio; Density-functional (DF); First-principle studies; Nanoribbon; Nanoribbons; Non magnetic; Potential applications; Transverse electric (TE); Spin dynamics
dc.titleFirst principle studies of zigzag AlN nanoribbon
dc.typeJournal article
local.description.notesImported from ARIES
local.identifier.citationvolume469
dc.date.issued2009
local.identifier.absfor020201 - Atomic and Molecular Physics
local.identifier.ariespublicationu9000694xPUB85
local.type.statusPublished Version
local.contributor.affiliationDu, Ai Jun, University of Queensland
local.contributor.affiliationZhu, Zhong Hua, University of Queensland
local.contributor.affiliationChen, Yong, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationLu, Gaoqing Max, University of Queensland
local.contributor.affiliationSmith, Sean C, University of Queensland
local.description.embargo2037-12-31
local.bibliographicCitation.issue1 March
local.bibliographicCitation.startpage183
local.bibliographicCitation.lastpage185
local.identifier.doi10.1016/j.cplett.2008.12.080
dc.date.updated2016-02-24T11:45:45Z
local.identifier.scopusID2-s2.0-58749086545
CollectionsANU Research Publications

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