CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Band Structures of Metal-Oxide Capped Graphene: A First Principles Study |
LIU Han, SUN Qing-Qing, CHEN Lin, XU Yan, DING Shi-Jin, ZHANG Wei, ZHANG Shi-Li |
State Key Laboratory of ASIC and System, Department of Microelectronics, Fudan University, Shanghai 200433 |
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Cite this article: |
LIU Han, SUN Qing-Qing, CHEN Lin et al 2010 Chin. Phys. Lett. 27 077201 |
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Abstract We perform a first-principles calculation based on density functional theory to investigate the interface between single layer graphene and metal oxides. Our study reveals that the monolayer graphene becomes semiconducting by single crystal SiO2 and Al2O3 contact, with energy gaps to ~0.9 and ~1.8 eV, respectively. We find the gap originates from the breakage of π bond integrity, whose extent is related to the interface atom configuration. We believe that our results highlight a promising direction for the feasibility to apply large scale graphene layers as building blocks in future electronics devices.
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Keywords:
72.80.Vp
73.20.At
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Received: 05 March 2010
Published: 28 June 2010
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PACS: |
72.80.Vp
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(Electronic transport in graphene)
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73.20.At
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(Surface states, band structure, electron density of states)
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