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Molecular dynamics simulation of Gd adatom diffusion on Cu(110) surface

Xie Guo-Feng Wang De-Wu Ying Chun-Tong

Molecular dynamics simulation of Gd adatom diffusion on Cu(110) surface

Xie Guo-Feng, Wang De-Wu, Ying Chun-Tong
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  • Abstract views:  3053
  • PDF Downloads:  1119
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  • Received Date:  18 September 2002
  • Accepted Date:  30 December 2002
  • Published Online:  20 September 2003

Molecular dynamics simulation of Gd adatom diffusion on Cu(110) surface

  • 1. 清华大学工程物理系,北京 100084

Abstract: 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] direct ion the Gd adatom diffuses by hopping,and the frequency of long jumps is very hi gh.While along[0 0 1]direction,the Gd adatom diffuses by exchanging.The freque ncy of hopping is higher than that of exchanging.The frequency of hopping and ex changing 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 b arrier of hopping is calculated by energy relaxation method.

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