Photocathodes have a wide range of applications, and different materials can be used depending on the incident photon wavelength. The structure and composition of a crystalline material can strongly affect the electronic properties such as the electron affinity and the work function. Molecular beam epitaxy (MBE) provides much improved control over the composition and synthesis of a photocathode versus traditional manufacturing methods, which allows these electrical and optical properties to be optimized for a particular application. In this article, we use density functional theory (DFT) through commercially available MedeA-VASP simulation software to identify the available parameter space of electron affinity and absorption coefficient by varying the stoichiometry and crystallinity. We identify trends to motivate the manufacture of new dicesium telluride- and gallium arsenide-like materials via MBE to optimize photocathode performance for a particular application.

中文翻译：

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使用 MEDEA-VASP 仿真软件对光电阴极性能进行建模

光电阴极的应用范围很广，根据入射光子波长的不同，可以使用不同的材料。晶体材料的结构和组成会强烈影响电子特性，例如电子亲和力和功函数。与传统制造方法相比，分子束外延 (MBE) 对光电阴极的组成和合成提供了更好的控制，这允许针对特定应用优化这些电学和光学特性。在本文中，我们通过商用 MedeA-VASP 模拟软件使用密度泛函理论 (DFT)，通过改变化学计量和结晶度来确定电子亲和力和吸收系数的可用参数空间。