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论文类型：期刊论文

发表时间：2010-01-01

发表刊物：PHYSICA B-CONDENSED MATTER

收录刊物：SCIE、EI、Scopus

卷号：405

期号：1

页面范围：29-33

ISSN号：0921-4526

关键字：Heteroepitaxial growth; Misfit dislocation; Molecular dynamics simulation

摘要：Molecular dynamics simulations are performed to study the strain relief and the evolution of Pd/Ni(1 0 0) and Pt/Ni(1 0 0) heteroepitaxial systems by using embedded atom method. The atomistic mechanism for the formation of misfit dislocation in Pd/Ni(1 0 0) and Pt/Ni(1 0 0) epitaxial islands is analyzed by comparing the evolution behaviors of the two systems. The simulation results reveal that the strain of epitaxial islands due to lattice mismatch is released by the formation of misfit dislocations. However, the formation of misfit dislocations is different for the two systems. The formation of misfit dislocations in I'd islands is much easier than that in Pt islands. It is found that the positive solution heat of the alloy weakens the adhesion energy of heteroepitaxial system and facilitates the formation of misfit dislocations. The relative rigidity between the island and the substrate is also important for the formation of misfit dislocation, which can be related to the bulk modulus of the island. (C) 2009 Elsevier B.V. All rights reserved.