Two-Dimensional σ-Hole Systems in Boron Layers: A First-Principles Study on Mg1-xNaxB2 and Mg1-xAlxB2
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概要
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We study two-dimensional σ-hole systems in boron layers by calculating the electronic structures of Mg1-xNaxB2 and Mg1-xAlxB2. In Mg1-xNaxB2, it is found that the concentration of σ holes is approximately described by ( 0.8 + 0.8 x ) ×1022 cm-3 and the largest attainable concentration is about 1.6 ×1022 cm-3 in NaB2. In Mg1-xAlxB2, on the other hand, it is found that the concentration of σ holes is approximately described by ( 0.8 - 1.4 x ) ×1022 cm-3 and σ holes disappear at x of about 0.6. These relationships can be used for experimental studies on σ-hole systems in these materials.
- 社団法人日本物理学会の論文
- 2001-05-15
著者
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SUZUKI Shugo
Institute of Materials Science, University of Tsukuba
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NAKAO Kenji
Institute of Materials Science, University of Tsukuba
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Suzuki Shugo
Institute Of Materials Science University Of Tsukuba
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Nakao Kenji
Institute Of Materials Science University Of Tsukuba
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Nakao Kenji
Institute Of Materials Science University Of Tsukiba
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Nakao Kenji
Institute Of Materials Science Uneversity If Tsukuba
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Suzuki Shugo
Institute of Material Science, University of Tsukuba, Tsukuba, Ibaraki 305-8577, Japan
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