Band gap evolution in Ruddlesden-Popper phases

Wei Li
Wei Li
Shanyuan Niu
Shanyuan Niu
Boyang Zhao
Boyang Zhao
Zhiqiang Zhang
Zhiqiang Zhang

Physical Review Materials, pp. 1016012019.

Other Links: academic.microsoft.com

Abstract:

We investigate the variation of the band gap across the Ruddlesden-Popper (RP) series $({\\mathrm{A}}_{n+1}{\\mathrm{B}}_{n}{\\mathrm{X}}_{3n+1})$ in model chalcogenide, oxide, and halide materials to understand the factors influencing the band gap evolution with $n$. In contrast to the oxides and halides, we find the band gaps of the cha...More

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