Reconstructed Structures of Symmetrical 〈011〉 Tilt Grain Boundaries in Silicon
作者:
M. Kohyama,
R. Yamamoto,
M. Doyama,
期刊:
physica status solidi (b)
(WILEY Available online 1986)
卷期:
Volume 138,
issue 2
页码: 387-397
ISSN:0370-1972
年代: 1986
DOI:10.1002/pssb.2221380202
出版商: WILEY‐VCH Verlag
数据来源: WILEY
摘要:
AbstractThe energies of reconstructed structures of symmetrical 〈011〉 tilt grain boundaries with θ>70.53° in silicon are calculated using the tight‐binding type electronic theory (bond orbital model). The energies of the most stable reconstructed boundary structures are in the same range or a little larger than those with θ ≦ 70.53°. These reconstructed structures are more stable than those with dangling bonds. There exists the continuity of boundary structure in the range 70.53° ≦ θ ≦ 148.41° (Σ = 27). Shallow cusps in the energy against θ curve can be found at special boundaries of type Σ = 3 (θ = 109.47°), Σ = 11 (θ = 129.52°), and Σ = 27 (θ = 148.41°), all of which are composed of one kind of original patterns. For θ>148.41°, boundary structures are composed of an ar
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