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Reconstructed Structures 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.2221380202
Subject(s) - tilt (camera) , grain boundary , silicon , dangling bond , boundary (topology) , geometry , enhanced data rates for gsm evolution , range (aeronautics) , condensed matter physics , crystallography , materials science , type (biology) , molecular physics , physics , chemistry , geology , mathematics , mathematical analysis , composite material , optoelectronics , paleontology , telecommunications , microstructure , computer science
The 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 array of a 0 [100] edge dislocations.