Molecular dynamics simulation of Gd adatom diffusion on Cu(110) surface
分子动力学模拟Gd原子在Cu(110)表面的扩散过程

The diffusion mechanisms of Gd adatom on Cu(110) surface are investigated by means of molecular dynamics.The simulation results show that along 1 1 0] direction the Gd adatom diffuses by hopping,and the frequency of long jumps is very high.While along0 0 1]direction,the Gd adatom diffuses by exchanging.The frequency of hopping is higher than that of exchanging.The frequency of hopping and exchanging can be described by Arrhenius equation.The calculated diffusion barrier of hopping is 0.097eV and that of exchanging is 0.33eV.Moreover the diffusion barrier of hopping is calculated by energy relaxation method.