Elastic Interaction of Defects on Crystal Surfaces
Elastic Interaction of Defects on Crystal Surfaces
复制标题
晶体表面缺陷的弹性相互作用
DOI：
10.1115/1.2812357
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发表时间：
1999
期刊：
影响因子：
--
通讯作者：
K. Sieradzki
中科院分区：
文献类型：
--
作者：
D. Kouris;A. Peralta;K. Sieradzki
与吸附原子、空位和台阶相对应的表面缺陷相互作用，影响并常常主导与薄膜生长相关的动力学过程。本文提出了一种计算表面缺陷间相互作用能的离散谐波模型。它是基于本征应变的概念，并允许在缺陷附近以及在远场的弹性场的准确评估。相互作用能的结果表明，体心立方晶体表面将生长在一个稳定的，二维的，阶梯流模式的条件。为了验证离散弹性模型的准确性，我们提出了原子模拟的结果，将嵌入原子方法（EAM）的潜力。离散弹性模型的结果与我们的原子EAM模拟的结果相比毫不逊色，并同意与连续弹性理论的远场预测。
Surface defects corresponding to adatoms, vacancies and steps interact, affecting and often dominating kinetic processes associated with thin-film growth. A discrete harmonic model for the evaluation of the interaction energy between surface defects is presented. It is based on the concept of eigenstrains and allows for the accurate evaluation of the elastic field, both at the immediate vicinity of the defects, as well as in the far field. Results for the interaction energy suggest conditions for which a body-centered-cubic crystal surface will grow in a stable, two-dimensional, step-flow mode. In order to verify the accuracy of the discrete elastic model, we present results of atomic simulations that incorporate Embedded Atom Method (EAM) potentials. The discrete elastic model results compare favorably with results from our atomic EAM simulations and agree with the far-field predictions of continuum elastic theory.