The electronic structure of methylammonium lead bromide (CH3NH3PbBr3) single crystals has been investigated through a combination of resonant photoemission and theoretical modeling. There are Pb spectral contributions throughout the valence band. Importantly, the electronic structure at the top of the valence band is found to be dominated by the hybridized Pb-Br bands, not methylammonium bromide. The results line up with the partial density of states obtained from density functional theory and confirm that much of the valence band has some Pb spectral weight.

中文翻译：

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铅溴加权带对杂化三溴钙钛矿占据态密度的贡献

通过共振光电发射和理论模型的结合，研究了甲基溴化铅 (CH3NH3PbBr3) 单晶的电子结构。整个价带都有铅光谱贡献。重要的是，发现价带顶部的电子结构由杂化的 Pb-Br 带主导，而不是甲基溴化铵。结果与从密度泛函理论获得的部分态密度一致，并证实大部分价带具有一些 Pb 光谱权重。