摘要
采用表面嵌入势，用静态计算和分子动力学方法研究了Ａｇ，Ｐｔ，Ａｕ单个吸附原子在（１１０）表面上的自扩散现象．分别给出了跳跃机制和交换机制所对应的能量变化曲线及相关原子的运动轨迹，分析了这三种不同金属（１１０）表面上的自扩散特点，结果与分子动力学模拟及有关的实验结果相符合．
Abstract Self diffusion of adatoms on Ag,Pt,Au(110) surfaces is investigated with the surface embed ded atom method(SEAM) and molecular dynamics.By quenched molecular dynamics,the static energy variation and the pathway of the atoms for hopping and exchange mechanisms are obtained.The self diffusion characteristics of these metals are analyzed,and the results show that the diffusion is isotropic on Pt(110) surface but anisotropic on Au,which are in accordance with the observation in experiments.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
1998年第4期678-685,共8页
Acta Physica Sinica
基金
国家自然科学基金
