Electronic Structures of 4H-SiC with Group I and VII Elements: First-Principles Study of Possible p-Type Doping

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概要

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• On the basis of first-principles calculations, we investigated the total energies and electronic structures of 4H-SiC containing group I and VII elements (H, Li, Na, K, and Rb from group I, and F, Cl, Br, and I from group VII) as impurities. We determined the favorable site, ionization energy and defect concentration for each impurity in 4H-SiC. It was found that the formation energies of H and Li at interstitial sites are always lower than those at substitutional sites. In particular for F and Na, the higher stability at either interstitial or substitutional site depends on C-rich condition. Our calculation revealed that the interstitial F introduces a rather shallow acceptor level as well as conventional p-type dopants such as B and Al at substitutional Si sites. This suggests that the interstitial F can be used to fabricate low-resistivity p-type SiC.

• 2009-04-25

著者

• Miyata Masanori

  Graduate School Of Science And Technology Kwansei Gakuin University

• Hayafuji Yoshinori

  Graduate School Of Science And Technology Kwansei Gakuin University

• Miyata Masanori

  Graduate School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337, Japan

• Hattori Shin

  Graduate School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337, Japan

• Hayafuji Yoshinori

  Graduate School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337, Japan

関連論文

• Theoretical Study of the Stability of X@B6 and X@B12 Clusters: $\text{X}=\text{H--Br}$ in Crystalline Silicon
• Electronic Structures of 4H-SiC with Group I and VII Elements: First-Principles Study of Possible p-Type Doping
• Theoretical Study of Acceptor--Donor Complexes in 4H-SiC

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