ELECTRONIC-STRUCTURE OF TWOFOLD-COORDINATED ATOMS IN SILICON-BASED AMORPHOUS-SEMICONDUCTORS

被引：5

作者：

ISHII, N ^{[1
]}

SHIMIZU, T ^{[1
]}

机构：

[1] KANAZAWA UNIV, FAC TECHNOL, DEPT ELECTR, KANAZAWA, ISHIKAWA 920, JAPAN

来源：

PHYSICAL REVIEW B | 1991年 / 44卷 / 23期

关键词：

D O I：

10.1103/PhysRevB.44.12776

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Electronic states of the twofold-coordinated N atom in a-SixNi1-x:H and twofold-coordinated P atom in P-doped a-Si:H have been calculated using the density-functional theory with a local-spin-density approximation. The calculated N-14 hyperfine parameters agree fairly well with those observed in N-rich a-Si-xN1-x:H by electron-spin-resonance (ESR) experiments, confirming the ESR center to be a twofold-coordinated N atom. On the other hand, the calculated P-31 hyperfine parameters are largely different from the observed values for the ESR center with a 250-G splitting in P-doped a-Si:H. Therefore the ESR center should not be identified as a twofold-coordinated P atom.

引用

页码：12776 / 12780

页数：5

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