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Structures and Energies of Symmetrical 〈011〉 Tilt Grain Boundaries in Silicon
Author(s) -
Kohyama M.,
Yamamoto R.,
Doyama M.
Publication year - 1986
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221370102
Subject(s) - tilt (camera) , grain boundary , silicon , boundary (topology) , unit (ring theory) , range (aeronautics) , crystallography , materials science , condensed matter physics , series (stratigraphy) , geometry , molecular physics , atomic physics , physics , chemistry , mathematics , mathematical analysis , geology , composite material , metallurgy , paleontology , microstructure , mathematics education
The 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 (1 2 2) boundary, are relatively stable.