Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 21, Issue 8, Pages -Publisher
IOP Publishing Ltd
DOI: 10.1088/0953-8984/21/8/084217
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Funding
- d-DOT-FET STREP European
- Cariplo Foundation
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An efficient computational method for finding the equilibrium concentration profiles which minimize the free energy of intermixed heteroepitaxial islands of assigned shape and average composition is described. A combination of a Monte Carlo method and continuum elasticity theory solved by a finite element method is shown to provide the desired profiles allowing for a significant computational gain with respect to atomistic approaches. The role played by dimensionality (ridges versus islands) and by entropy is discussed.
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