Linear response theory of activated surface diffusion with interacting adsorbates

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• 作者：R. Martı ; ´ ; nez-Casado ; A.S. Sanz ; J.L. Vega ; G. Rojas-Lorenzo ; S. Miret-Art&#xe9 ; s
• 关键词：Activated surface diffusion ; Frustrated translational modes ; Dissipation
• 刊名：Chemical Physics
• 出版年：2010
• 出版时间：12 May 2010
• 年：2010
• 卷：370
• 期：1-3
• 页码：180-193
• 全文大小：462 K

文摘

Activated surface diffusion with interacting adsorbates is analyzed within the Linear Response Theory framework. The so-called interacting single adsorbate model is justified by means of a two-bath model, where one harmonic bath takes into account the interaction with the surface phonons, while the other one describes the surface coverage, this leading to defining a collisional friction. Here, the corresponding theory is applied to simple systems, such as diffusion on flat surfaces and the frustrated translational motion in a harmonic potential. Classical and quantum closed formulas are obtained. Furthermore, a more realistic problem, such as atomic Na diffusion on the corrugated Cu(0 0 1) surface, is presented and discussed within the classical context as well as within the framework of Kramer’s theory. Quantum corrections to the classical results are also analyzed and discussed.