Comparative Study of Atomic and Electronic Structures of P and Bi Nanofilms
スポンサーリンク
概要
- 論文の詳細を見る
We perform first-principles calculations on P and Bi nanofilms and clarify the atomic and electronic structures of these films. The energy gap of the two-atomic-layer film of P has a band gap of 1.2 eV, and as the thickness becomes large, the band gap becomes close to that of the bulk, which is a semiconductor. The most stable structure of the two-atomic-layer Bi film has an energy gap of 0.2 eV and two atoms on the surface are buckled. The nonbuckled structure is metallic and is metastable and its energy is slightly (12 meV) higher than that of the buckled structure. We discuss why the P films are nonbucked and the stable Bi films are buckled.
- Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
- 2007-12-15
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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Nagao Tadaaki
Institute For Materials Research Tohoku Univ.
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Yaginuma Shin
Institute for Materials Science, 1-2-1 Sengen, Tukuba, Ibaraki 305-8577, Japan
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Saito Mineo
Division of Mathematical and Physical Science, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma-machi, Kanazawa 920-1192, Japan
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Nagao Tadaaki
Institute for Materials Science, 1-2-1 Sengen, Tukuba, Ibaraki 305-8577, Japan
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Takemori Yohei
Division of Mathematical and Physical Science, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma-machi, Kanazawa 920-1192, Japan
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Hashi Tomofumi
Division of Mathematical and Physical Science, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma-machi, Kanazawa 920-1192, Japan
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