%0 Journal Article %@holdercode {isadg {BR SPINPE} ibi 8JMKD3MGPCW/3DT298S} %@nexthigherunit 8JMKD3MGPCW/3ESR3H2 %@resumeid %@resumeid 8JMKD3MGP5W/3C9JH2J %@archivingpolicy denypublisher denyfinaldraft12 %@usergroup administrator %@usergroup marciana %@usergroup sergio %3 surface instability.pdf %X We have studied numerically the stability and defect nucleation in epitaxial layers on a substrate with lattice mismatch. Stress relaxation and energy barriers for misfit dislocation nucleation are estimated using modern methods for saddle point search based on a combination of activation with local repulsive potential and the Nudged Elastic Band method. Stress relaxation processes correspond to different transition paths from coherent to incoherent states of the epitaxial layer. Using a two-dimensional atomistic model with Lennard-Jones interacting potential, we find different equilibrium critical thickness and activation energy behavior for dislocation nucleation of epitaxial films under tensile and compressive strain. For tensile strain, the energy barrier decreases with thickness while it reaches a constant value for compressive strain. %8 June %N 2 %T Surface instability and dislocation nucleation in strained epitaxial layers %@secondarytype PRE PN %K MATERIALS PHYSICS, Stability, Defect nucleation, Epitaxial layers, Molecular dynamics simulations, Misfit discolations, Heterostructures, Relaxatio, Silicon, Growth, Films, FÍSICA DE MATERIAIS, Estabilidade, Nucleação defeituosa, Simulação dinâmica molecular, Heteroestruturas, Silicone, Filmes. %@visibility shown %@group %@group LAS-INPE-MCT-BR %@secondarykey INPE-13282-PRE/8524 %@copyholder SID/SCD %@issn 0103-9733 %2 sid.inpe.br/iris@1916/2005/05.12.11.51.40 %@affiliation Institute of Microelectronics and Informatics, Academy of Sciences of Russia %@affiliation Instituto Nacional de Pesquisas Espaciais, Laboratório Associado de Sensores e Materiais (INPE.LAS) %@affiliation Department of Physics, Brown University %@affiliation Department of Physics, Brown University %@affiliation HIT and Laboratory of Physics, Helsinki University of Technology %@affiliation HIT and Laboratory of Physics, Helsinki University of Technology %@project MATCON: Física da matéria condensada %B Brazilian Journal of Physics %P 369-371 %4 sid.inpe.br/iris@1916/2005/05.12.11.51 %D 2002 %V 32 %A Trushin, O, %A Granato, Enzo, %A Ying, S. C., %A Kosterlitz, J. M., %A Ala-Nissila, T., %A Salo, P., %@dissemination WEBSCI; PORTALCAPES; SCIELO. %@area FISMAT