Strain modulating half-metallicity of semifluorinated GaN nanosheets

Xiao, M; Ao, Z; Xu, T; He, C; Song, H; Wang, L

Strain modulating half-metallicity of semifluorinated GaN nanosheets

Xiao, M Ao, Z

Xu, T He, C Song, H Wang, L

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Publication Type:: Journal Article
Citation:: Chemical Physics Letters, 2016, 653 pp. 42 - 46
Issue Date:: 2016-06-01

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Field	Value	Language
dc.contributor.author	Xiao, M	en_US
dc.contributor.author	Ao, Z https://orcid.org/0000-0003-0333-3727	en_US
dc.contributor.author	Xu, T	en_US
dc.contributor.author	He, C	en_US
dc.contributor.author	Song, H	en_US
dc.contributor.author	Wang, L	en_US
dc.date.issued	2016-06-01	en_US
dc.identifier.citation	Chemical Physics Letters, 2016, 653 pp. 42 - 46	en_US
dc.identifier.issn	0009-2614	en_US
dc.identifier.uri	http://hdl.handle.net/10453/122737
dc.description.abstract	© 2016 Published by Elsevier B.V. Strain-dependent half-metallicity of two-bilayer GaN nanosheets (NSs) with fluorinated Ga atoms is studied using density-functional theory. Our results demonstrate that the band gaps in spin-up states and half-metallic gaps vary with biaxial strain and uniaxial compressive strain along the zigzag direction, while the metallic behaviors in spin-down states remain regardless of strain. However, biaxial strain has a better effect on the half-metallicity. Semifluorinated GaN NSs may undergo a structural phase transition from wurtzite to graphite-like phase at high biaxial tension. Therefore, biaxial strain tuning half-metallicity efficiently could provide a viable route to GaN-based spintronic nanodevices.	en_US
dc.relation.ispartof	Chemical Physics Letters	en_US
dc.relation.isbasedon	10.1016/j.cplett.2016.04.066	en_US
dc.subject.classification	Chemical Physics	en_US
dc.title	Strain modulating half-metallicity of semifluorinated GaN nanosheets	en_US
dc.type	Journal Article
utslib.citation.volume	653	en_US
utslib.for	0303 Macromolecular and Materials Chemistry	en_US
utslib.for	02 Physical Sciences	en_US
utslib.for	03 Chemical Sciences	en_US
utslib.for	10 Technology	en_US
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
pubs.organisational-group	/University of Technology Sydney/Strength - CCET - Centre for Clean Energy Technology
utslib.copyright.status	closed_access
pubs.publication-status	Published	en_US
pubs.volume	653	en_US

Abstract:

© 2016 Published by Elsevier B.V. Strain-dependent half-metallicity of two-bilayer GaN nanosheets (NSs) with fluorinated Ga atoms is studied using density-functional theory. Our results demonstrate that the band gaps in spin-up states and half-metallic gaps vary with biaxial strain and uniaxial compressive strain along the zigzag direction, while the metallic behaviors in spin-down states remain regardless of strain. However, biaxial strain has a better effect on the half-metallicity. Semifluorinated GaN NSs may undergo a structural phase transition from wurtzite to graphite-like phase at high biaxial tension. Therefore, biaxial strain tuning half-metallicity efficiently could provide a viable route to GaN-based spintronic nanodevices.

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http://hdl.handle.net/10453/122737