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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]

CollectionsANU Research Publications
Date published: 2009
Type: Journal article
URI: http://hdl.handle.net/1885/31744
Source: Chemical Physics Letters
DOI: 10.1016/j.cplett.2008.12.080

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