We investigate the growth performance of tin oxide on the Si substrate, achieved by spray pyrolysis using the sensitive analysis techniques X-Ray Photoelectron Spectroscopy (XPS) and Auger Electron Spectroscopy (AES). These complementary techniques confirm the growth of homogeneous SnO2 thin films. We also study the electronic distribution of the valence band of SnO2 theoretically using density functional theory (DFT). The chemical and physical properties of the material depend on the electron structure varying as a function of energy. The density of states (DOS) is calculated using the modified Becke–Johnson-Generalized Gradient Approximation (mBJ-GGA) in order to identify the electronic orbitals and the importance of their contribution to the electronic structure of the valence band. Furthermore, we use the experimental technique UV Photoelectron Spectroscopy (UPS) for studying the electronic distribution within the valence band and for validating the theoretical results of the density of states of SnO2/Si.

中文翻译：

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XPS、AES 和 UPS 在 mBJ-GGA 方案中研究 SnO2/Si 和基于 DFT 的理论研究

我们使用灵敏的分析技术 X 射线光电子能谱 (XPS) 和俄歇电子能谱 (AES) 通过喷雾热解来研究氧化锡在 Si 衬底上的生长性能。这些互补技术证实了均质 SnO 的生长2薄膜。我们还研究了 SnO 价带的电子分布2理论上使用密度泛函理论（DFT）。材料的化学和物理特性取决于随能量变化的电子结构。为了确定电子轨道及其对价带电子结构的贡献的重要性，使用改进的贝克-约翰逊广义梯度近似 (mBJ-GGA) 计算状态密度 (DOS)。此外，我们使用实验技术紫外光电子能谱 (UPS) 来研究价带内的电子分布，并验证 SnO 态密度的理论结果2/Si。