Avoiding Anisotropies in On‐Lattice Simulations of Ballistic Deposition,Physica Status Solidi (B) - Basic Solid State Physics

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Avoiding Anisotropies in On‐Lattice Simulations of Ballistic Deposition
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.5 ) Pub Date : 2020-11-06 , DOI: 10.1002/pssb.202000036
Christoph Grüner ₁ , Susann Grüner ₁ , Stefan G. Mayr _{1,

2} , Bernd Rauschenbach _{1,

2,

3}

Affiliation

Anisotropies often arise in the context of on‐lattice simulations of deposition processes. For instance, the density of simulated thin films depends on the orientation of the substrate and the particle flux with respect to the simulation cell axes, which is known as “grid effect”. Although being the reason for a variety of unphysical results obtained in on‐lattice simulations, less attention is paid to such anisotropies. Herein, the grid effect is studied on the example of the glancing angle deposition (GLAD) technique. GLAD is a physical vapor deposition process that is characterized by a material flux arriving with a highly oblique incidence angle at the substrate. Due to self‐shadowing, a highly porous thin film consisting of separated nanostructures is formed by this method. It is shown that all on‐lattice simulations that contain substrate rotation, beam divergence, or a varying angle of incidence are affected by the grid effect. A method utilizing cluster particles is presented, to reduce the grid effect in on‐lattice simulations. Finally, it is demonstrated that the on‐lattice simulation of GLAD films utilizing cluster particles matches with experimentally deposited silicon films.

中文翻译：

弹道沉积在格模拟中避免各向异性

各向异性通常出现在沉积过程的晶格模拟环境中。例如，模拟薄膜的密度取决于基板的方向和相对于模拟单元轴的粒子通量，这被称为“网格效应”。尽管这是在晶格模拟中获得各种非物理结果的原因，但对这种各向异性的关注却较少。在此，以掠角沉积（GLAD）技术为例来研究网格效应。GLAD是一种物理气相沉积工艺，其特征在于材料通量以高度倾斜的入射角到达基板。由于自遮蔽，通过这种方法形成了由分离的纳米结构组成的高度多孔的薄膜。结果表明，所有包含基板旋转，光束发散或入射角变化的晶格模拟都会受到网格效应的影响。提出了一种利用团簇粒子的方法，以减少网格模拟中的网格效应。最后，证明了利用团簇粒子对GLAD薄膜进行的晶格模拟与实验沉积的硅薄膜相匹配。

更新日期：2020-11-06

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