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Atomistic calculation of stability and metastability of coherently strained silicon-like structures

Conference ·
OSTI ID:6727755
Monte Carlo based microscopic techniques were used to study the stability and metastability of thin coherently strained layers of mismatched silicon-like semiconductor material grown on the (111) silicon surface. The structural energy was calculated using three-body empirical potentials. For layers greater than about 20 A thickness, the critical layer thickness associated with thermodynamic stability is accurately described by the continuum theory of Matthews and Blakeslee. For thinner layers, however, the stability properties vary considerably from those predicted by the continuum theory. The test system is found to be metastable against the nucleation of misfit dislocations to a lattice mismatch of about 11% for a strained layer six monolayers thick, compared to the 4% mismatch stability limit.
Research Organization:
Sandia National Labs., Albuquerque, NM (USA)
DOE Contract Number:
AC04-76DP00789
OSTI ID:
6727755
Report Number(s):
SAND-86-1374C; CONF-861207-75; ON: DE87002049
Country of Publication:
United States
Language:
English