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In view of the complexity of thin-film solar cells, which are comprised of a multitude of layers, interfaces, surfaces, elements, impurities, etc., it is crucial to characterize and understand the
chemical and electronic structure of these components. Because of the high complexity of the Cu2ZnSn(S,Se)4 compound semiconductor absorber material alone, this is particularly true for kesterite-based devices. Hence, this paper reviews our recent progress in the characterization of Cu2ZnSnS4 (CZTS) thin films. It is demonstrated that a combination of different soft x-ray spectroscopies is an extraordinarily powerful method for illuminating the chemical and electronic material characteristics from many different perspectives, ultimately resulting in a comprehensive picture of these properties. The focus of the article will be on secondary impurity phases, electronic structure, native oxidation, and the CZTS surface composition.
Resonant inelastic soft X-ray scattering (RIXS) has been used to study the
electronic structure of glycine and lysine in aqueous solution. Upon variation of the pH
value of the solution from acidic to basic, major changes of the nitrogen K edge RIXS data
are observed for both amino acids, which are associated with the protonation and
deprotonation of the amino groups. The experimental results are compared with
simulations based on density functional theory, yielding a detailed understanding of the
spectral changes, as well as insights into the ultrafast proton dynamics in the intermediate
core-excited/ionized state of the RIXS process.
We apply soft x-ray emission spectroscopy (XES) to measure the electronic structure of crystalline silicon supersaturated with sulfur (up to 0.7 at. %), a candidate intermediate-band solar cell material. Si L2,3 emission features are observed above the conventional Si valence band maximum, with intensity scaling linearly with S concentration. The lineshape of the S-induced features change across the insulator-to-metal transition, indicating a significant modification of the local electronic structure concurrent with the change in macroscopic electronic behavior. The relationship between the Si L2,3 XES spectral features and the anomalously high sub-band gap infrared absorption is discussed.