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Semi‐Empirical Calculations for Stacking Faults in Diamond‐Type Lattices
Author(s) -
Weigel C.,
Alexander H.,
Corbett J. W.
Publication year - 1975
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.2220710232
Subject(s) - stacking , diamond , stacking fault , lattice (music) , silicon , materials science , condensed matter physics , crystallography , molecular physics , physics , chemistry , optoelectronics , composite material , nuclear magnetic resonance , acoustics
The stacking fault energies, γ, for intrinsic, extrinsic, and twin faults in diamond and silicon are calculated by the extended Hückel theory. For both materials γ int > γ ext > >γ twin . and γ twin ≈ γ ext /2. The number and distance of plane sequences containing boat‐shaped six‐membered atomic rings appear to determine the ordering of the γs. Charge distribution analyses allow intrinsic and extrinsic faults to be interpreted as superpositions of twin faults and suggest that lattice distortions occur in the vicinity of the faults.