Theoretical Study of the Stability of X@B6 and X@B12 Clusters: $\text{X}=\text{H--Br}$ in Crystalline Silicon
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概要
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Ab initio calculations of the atomic and electronic structure of crystalline silicon (c-Si) with X@B6 and X@B12 ($\text{X}=\text{H--Br}$) clusters have been performed to investigate carrier generation by doping atoms inside the cage of the boron clusters. We confirmed that octahedral B6, cubo-octahedral B12 (B12-CO) and icosahedral B12 (B12-ICO) can exist stably in c-Si and should act as double acceptors. We also found that H atoms can be settled in B12-CO clusters and the H@B12-CO cluster can introduce a very shallow single acceptor level whose activation energy is lower than those of B6, B12 (-CO, -ICO) and substitutional boron atom (Bs). It is found on the basis of the formation energies that B@B6 and B@B12 will inevitably be formed and may degrade the efficiency of carrier generation. The H@B12-CO cluster is one of the most promising candidates as the cluster dopant for the improvement of the efficiency of boron implantation and the formation of a high-performance extremely shallow junction.
- 2007-02-15
著者
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Hayafuji Yoshinori
Graduate School Of Science And Technology Kwansei Gakuin University
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Ochiai Hiroaki
Graduate School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337, Japan
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Ohmori Kengo
Graduate School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337, Japan
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Higashiguchi Yoshitsune
Graduate School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337, Japan
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Igei Kazuyuki
Graduate School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337, Japan
関連論文
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