Magic Numbers of Graphene Multivacancies
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概要
- 論文の詳細を見る
The stabilities and atomic geometries of graphene multivacancies are studied using a first-principles calculation. We find that the atomic relaxation allows the system to have pentagons in vacancies and that this pentagon formation stabilizes the defects considerably. It is concluded that the magic numbers of the multivacancies are 2, 4, and 6. This result differs from that predicted using the conventional dangling bond counting model, which does not include any effect of lattice relaxation. An extended model, which is additionally parametrized by the number of pentagons, is constructed.
- Japan Society of Applied Physicsの論文
- 2007-12-25
著者
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Saito Mineo
Division Of Mathematical And Physical Science Graduate School Of Natural Science And Technology Kana
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Yamashita Kazuaki
Division of Mathematical and Physical Science, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma, Kanazawa 920-1192, Japan
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Oda Tatsuki
Division of Mathematical and Physical Science, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma, Kanazawa 920-1192, Japan
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