First-principles calculations of specular reflection of high-energy electrons during the two-dimensional crystal growth

RHEED_DIFF_2D is an open-source software capable of performing qualitative numerical simulations of changes to the intensity of RHEED oscillations in the function of the layer deposited, employing various models of scattering crystal potential for heteroepitaxial structures of bcc (001) films nucleated on a fcc (001) surface, including the possible existence of various diffuse scattering models through the layer parallel to the surface. This model can be used for interpreting data weakly dependent on the azimuth of the incident electron beam direction and for 2D monolayer-by-monolayer growth modes. The program does not use any external data sources.

RHEED_DIFF_2D是一款开源软件，能够对RHEED（反射高能电子衍射）振荡强度随沉积层变化的定性数值模拟进行操作，采用散射晶体势模型，针对基于面心立方(fcc)（001）表面的体心立方(bcc)（001）薄膜的异质外延结构，包括通过层与表面平行的各种扩散散射模型的可能性。此模型可用于解释对入射电子束方向方位角弱依赖的数据，以及对二维单层逐层生长模式的解析。该程序不依赖任何外部数据源。