arXivDaily arXiv每日学术速递 周一至周五更新
arXiv周末暂无论文更新,休息一下吧,周末愉快~~
arXiv 0909.0719cond-mat.stat-mechphysics.chem-ph
收藏

吸附物相互作用下活化表面扩散的线性响应理论

Linear response theory of activated surface diffusion with interacting adsorbates

R. Martinez-Casado, A. S. Sanz, J. L. Vega, G. Rojas-Lorenzo, S. Miret-Artes

摘要:

在线性响应理论框架内分析了具有相互作用的吸附物的活化表面扩散。所谓的相互作用的单吸附模型是合理的两浴模型,其中一个谐波浴考虑到与表面声子的相互作用,而另一个描述的表面覆盖,这导致定义碰撞摩擦。在这里,相应的理论被应用到简单的系统,如扩散在平坦的表面和挫折的平移运动的谐波潜力。得到了经典和量子封闭公式。此外,一个更现实的问题,如原子Na在波纹Cu(001)表面上的扩散,提出和讨论的经典背景下,以及在Kramer的理论框架内。对经典结果的量子修正也进行了分析和讨论。

英文摘要:

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(001) 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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑