Density-Functional Theory Calculations Of Hopping Rates Of Surface Diffusion
PHYSICAL REVIEW B(1998)
摘要
Using density-functional theory we compute the energy barriers and attempt frequencies for surface diffusion of Ag on Ag(lll) with different lattice constants, and on an Ag adsorbate monolayer on Pt(lll). We find that the attempt frequency is of the order of 1 THz for all the systems studied. This is in contrast to the so-called compensation effect, and to recent experimental studies. Our analysis suggests that the applicability of simple (commonly used) scaling laws for the determination of diffusion and growth parameters is often not valid. [S0163-1829(98)02444-8].
更多查看译文
关键词
surface structure,density function theory,surface diffusion
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要