| Band Structures of Metal-Oxide Capped Graphene： A First Principles Study |
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| 引用本文： | 刘晗,孙清清,陈琳,徐岩,丁士进,张卫,张世理.Band Structures of Metal-Oxide Capped Graphene： A First Principles Study[J].中国物理快报,2010,27(7):225-228. |
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| 作者姓名： | 刘晗 孙清清 陈琳 徐岩 丁士进 张卫 张世理 |
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| 基金项目： | Supported by the National Natural Science Foundation of China （60776017）, the State Key Projects （2009ZX02039-003, 2009ZX02022-002, 2009ZX02035-005）, and the Fund of State Key Laboratory of ASIC and System （09MS004）.
We acknowledge Professor Xingao Gong for help in the calculation. |
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| 摘 要： | 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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| 关 键 词： | 金属氧化物 石墨层 第一性原理 带结构 修饰 密度泛函理论 第一原理计算 Al2O3 |
| 收稿时间： | 2010-3-5 |
Band Structures of Metal-Oxide Capped Graphene: A First Principles Study |
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| LIU Han,SUN Qing-Qing,CHEN Lin,XU Yan,DING Shi-Jin,ZHANG Wei,ZHANG Shi-Li.Band Structures of Metal-Oxide Capped Graphene: A First Principles Study[J].Chinese Physics Letters,2010,27(7):225-228. |
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| Authors: | LIU Han SUN Qing-Qing CHEN Lin XU Yan DING Shi-Jin ZHANG Wei ZHANG Shi-Li |
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| Affiliation: | State Key Laboratory of ASIC and System, Department of Microelectronics, Fudan University, Shanghai 200433 |
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| Abstract: | |
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| Keywords: | 72 80 Vp 73 20 At |
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