Tuning the electronic and magnetic properties of graphene-like SiGe hybrid nanosheets by surface functionalization

Zhang, WX; Wang, YB; Zhao, P; He, C

Tuning the electronic and magnetic properties of graphene-like SiGe hybrid nanosheets by surface functionalization

Zhang, WX Wang, YB Zhao, P He, C

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Publication Type:: Journal Article
Citation:: Physical Chemistry Chemical Physics, 2016, 18 (37), pp. 26205 - 26212
Issue Date:: 2016-01-01

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Field	Value	Language
dc.contributor.author	Zhang, WX	en_US
dc.contributor.author	Wang, YB	en_US
dc.contributor.author	Zhao, P	en_US
dc.contributor.author	He, C	en_US
dc.date.issued	2016-01-01	en_US
dc.identifier.citation	Physical Chemistry Chemical Physics, 2016, 18 (37), pp. 26205 - 26212	en_US
dc.identifier.issn	1463-9076	en_US
dc.identifier.uri	http://hdl.handle.net/10453/122982
dc.description.abstract	© 2016 the Owner Societies. In this paper, the structural, electronic and magnetic properties of fully and partially surface modified SiGe nanosheets (NSs) have been investigated using first-principles calculations based on density functional theory. The results demonstrate that the electronic and magnetic properties of SiGe NSs can be tuned by decorating H, Cl and F atoms on Si sites in SiGe NSs. It is shown that by decorating their surface with H, F, and Cl atoms, H-SiGe, F-SiGe, and Cl-SiGe NSs in FM states are predicted to behave as a semiconductor, half-metal, and metal, respectively. The diverse electronic and magnetic properties define the potential applications of SiGe nanosheets in electronics and spintronics.	en_US
dc.relation.ispartof	Physical Chemistry Chemical Physics	en_US
dc.relation.isbasedon	10.1039/c6cp04756d	en_US
dc.subject.classification	Chemical Physics	en_US
dc.title	Tuning the electronic and magnetic properties of graphene-like SiGe hybrid nanosheets by surface functionalization	en_US
dc.type	Journal Article
utslib.citation.volume	37	en_US
utslib.citation.volume	18	en_US
utslib.for	02 Physical Sciences	en_US
utslib.for	0303 Macromolecular and Materials Chemistry	en_US
utslib.for	03 Chemical Sciences	en_US
utslib.for	09 Engineering	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
utslib.copyright.status	closed_access
pubs.issue	37	en_US
pubs.publication-status	Published	en_US
pubs.volume	18	en_US

Abstract:

© 2016 the Owner Societies. In this paper, the structural, electronic and magnetic properties of fully and partially surface modified SiGe nanosheets (NSs) have been investigated using first-principles calculations based on density functional theory. The results demonstrate that the electronic and magnetic properties of SiGe NSs can be tuned by decorating H, Cl and F atoms on Si sites in SiGe NSs. It is shown that by decorating their surface with H, F, and Cl atoms, H-SiGe, F-SiGe, and Cl-SiGe NSs in FM states are predicted to behave as a semiconductor, half-metal, and metal, respectively. The diverse electronic and magnetic properties define the potential applications of SiGe nanosheets in electronics and spintronics.

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http://hdl.handle.net/10453/122982