Proceedings of MATSUS Spring 2024 Conference (MATSUS24)
Publication date: 18th December 2023
The electronic state in organic semiconductors and metal-halide perovskite are often debated, where its state is localized or delocalized in semiconductor crystal. A lot of work dealing with the localized and delocalized electronic state have been reported from both experimental and theoretical point of view. It has also been reported that the electronic state is in an intermediate state between localized and delocalized. A theoretical model dealing with such an intermediate state is required in order to deal with such state.
In this study, we proposed a novel quantum model to express the intermediate state between the localized and delocalized states. The model was formulated using the fractional Fourier transform, and the intermediate state was parameterized continuously using a parameter α. On the basis of this model, the wavefunction and band dispersion were expressed graphically. The wavefunction was displayed with typical features of a mixture of the localized state and waveform. In the band diagram, a feature deviated from conventional band dispersion was observed. The theoretical model proposed in this study is expected to the expression of the electronic states of actual materials such as metal-halide perovskites and organic semiconductors.
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