Structures and Energies of Symmetrical 〈011〉 Tilt Grain Boundaries in Silicon

Physica Status Solidi (B): Basic Research - Tập 137 Số 1 - Trang 11-20 - 1986
Masanori Kohyama1, Ryōichi Yamamoto1, Masao Doyama1
1Department of Metallurgy and Materials Science, Faculty of Engineering, The University of Tokyo

Tóm tắt

AbstractThe structures and energies of a series of symmetrical 〈011〉 tilt grain boundaries in silicon are calculated for the first time using the tight‐binding type electronic theory (the bond orbital model). The boundary energies are highly dependent on the types and arrangements of the structural units which consist of 5‐, 6‐, 7‐, and 8‐membered rings of atoms. The boundary structures in the range 0° ≦ 0 ≦ 70.53° are analyzed in detail by the structural unit model, and it is shown that the comparatively simple structures of special boundaries, such as the Σ = 9 (122) boundary, are relatively stable.

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Physica Status Solidi (B): Basic Research

Tập 137 Số 1

11-20

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