Study of Si and C adatoms and SiC clusters on the silicon surface by the molecular dynamics method |
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| Authors: | V S Kharlamov Yu V Trushin E E Zhurkin M N Lubov J Pezoldt |
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| Institution: | 1.Ioffe Physico-Technical Institute,Russian Academy of Sciences,St. Petersburg,Russia;2.St. Petersburg Research and Education Center of Science and Technology,Russian Academy of Sciences,St. Petersburg,Russia;3.St. Petersburg State Technical University,St. Petersburg,Russia;4.Center for Micro-and Nanotechnologies,Ilmenau Technical University,Ilmenau,Germany |
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| Abstract: | Individual Si and C adatoms, as well as SiC clusters, on a Si surface are simulated by the molecular dynamics method in the
course of investigation of the initial stages of formation of a SiC layer on silicon with the help of molecular beam epitaxy.
The potential energy surfaces for Si and C adatoms on the (2 × 1) reconstructed Si(001) surface and on the nonreconstructed
Si(111) surface, as well as on the Si(111) surface with a SiC cluster, are calculated and analyzed. The values of migration
barriers for adatoms on these surfaces are calculated. The effect of the SiC cluster on deformation of the surface region
of Si(111) and on the migration of adatoms is investigated. The deep minima observed on the potential energy surfaces immediately
above a cluster and at its boundaries can trap diffusing adatoms. The distributions of stresses and strains in the silicon
lattice under a cluster on the surface are studied and described. |
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