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利用角度修正的嵌入原子方法研究了Cu(100),(110),(111)和(311)等8个面的弛豫,得到了与实验符合较好的结果.然后研究了Cu(100)面上的自扩散机制,得到了与实验和局域密度近似计算相符合的结论.还计算了(110)和(111)面的扩散势垒The multilayer relaxation of Cu(100),(110),(111)and(311) surfaces are calculated- using the modified embedded atom method,from which the results obtained are in good agreement with the experiments. The self-diffusion mechanisms on the Cu(100) surface are investigated,and the result is colse to the available experimental data and that obtained by local density approximation method.In addition,the diffusion barrier heights on Cu(110) and (111) surface are predicted.







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