A Simple Kinetic Monte Carlo Approach for Epitaxial Submonolayer Growth  

作　　者：Robert Deak Zoltan Neda Peter B.Barna 

机构地区：[1]Eotvos Lor and University,Department of Materials Science,H-1117 Budapest,Hungary [2]Babe¸s-Bolyai University,Department of Theoretical and Computational Physics,Cluj-Napoca,RO-400084,Romania [3]Research Institute for Technical Physics and Materials Science,H-1525,Budapest,P.O box 49,Hungary

出　　处：《Communications in Computational Physics》2008年第4期822-833,共12页计算物理通讯（英文）

基　　金：the Hungarian National Science Foundation under contract No.OTKA T048699;INNOVATIAL 6th Framework Program Project IP 515844-21 and by Romanian CNCSIS 41/183 and CEEX/Nanobiospec grant.

摘　　要：Two-component submonolayer growth on triangular lattice is qualitatively studied by kinetic Monte Carlo techniques.The hopping barrier governing surface diffusion of the atoms is estimated using pair interaction potentials.Several degrees of freedoms enhancing the surface diffusion of atoms are also introduced.The main advantages of the presented technique are the reduced number of free parameters and the clear diffusion activated mechanism for the segregation of different types of atoms.The potential of this method is exemplified by reproducing(i)phase-boundary creation and dynamics related to vacancies and stacking faults;(ii)a special co-deposition and segregation process where the segregated atoms of the second component surround the islands formed by the first type of atoms.

关 键 词：Submonolayer epitaxial growth kinetic Monte Carlo pattern formation twocomponent systems segregation. 

分 类 号：TG1[金属学及工艺—金属学]