Alem, N, Ramasse, QM, Seabourne, CR et al. (7 more authors) (2012) Subangstrom edge relaxations probed by electron microscopy in hexagonal boron nitride. Physical Review Letters, 109 (20). 205502. ISSN 0031-9007
Abstract
Theoretical research on the two-dimensional crystal structure of hexagonal boron nitride (h-BN) has suggested that the physical properties of h-BN can be tailored for a wealth of applications by controlling the atomic structure of the membrane edges. Unexplored for h-BN, however, is the possibility that small additional edge-atom distortions could have electronic structure implications critically important to nanoengineering efforts. Here we demonstrate, using a combination of analytical scanning transmission electron microscopy and density functional theory, that covalent interlayer bonds form spontaneously at the edges of a h-BN bilayer, resulting in subangstrom distortions of the edge atomic structure. Orbital maps calculated in 3D around the closed edge reveal that the out-of-plane bonds retain a strong π* character. We show that this closed edge reconstruction, strikingly different from the equivalent case for graphene, helps the material recover its bulklike insulating behavior and thus largely negates the predicted metallic character of open edges.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2012, American Physical Society. This is an author produced version of a paper published in Physical Review Letters. Uploaded in accordance with the publisher's self-archiving policy. |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemical & Process Engineering (Leeds) > Institute for Materials Research (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 16 Sep 2013 09:26 |
Last Modified: | 15 Sep 2014 03:05 |
Published Version: | http://link.aps.org/doi/10.1103/PhysRevLett.109.20... |
Status: | Published |
Publisher: | American Physical Society |
Refereed: | Yes |
Identification Number: | 10.1103/PhysRevLett.109.205502 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:76413 |