Role of vibrational entropy in surface diffusion: adatoms and vacancies on Ag(100), Cu(100), and Ni(100)

被引：0

作者：

Kurpick, Ulrike

Rahman, Talat. S.

机构：

来源：

Surface Science | 1999年 / 427-428卷

关键词：

Surface phenomena - Molecular vibrations - Atoms - Silver - Copper - Nickel - Molecular dynamics - Thermodynamic properties - Crystal lattices - Mass transfer - Approximation theory - Lattice vibrations;

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摘要：

We present results for the temperature variation of diffusion coefficients for adatoms and vacancies on Ag(100), Cu(100), and Ni(100), using transition state theory and many-body interaction potentials from the embedded atom method. The contribution of lattice vibrations is found to be essential for the evaluation of the diffusion pre-exponential factors and is incorporated through the thermodynamic functions calculated in the harmonic/quasi-harmonic approximation. Our results show that mass transport on these surfaces can proceed via both vacancy and adatom migration, with a slight preference for the former in certain cases.

引用

页码：15 / 21