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- W2912482801 abstract "With the examples of the C K-edge in graphite and the B K-edge in hexagonal boron nitride, we demonstrate the impact of vibrational coupling and lattice distortions on the X-ray absorption near-edge structure (XANES) in two-dimensional layered materials. Theoretical XANES spectra are obtained by solving the Bethe–Salpeter equation of many-body perturbation theory, including excitonic effects through the correlated motion of the core hole and excited electron. We show that accounting for zero-point motion is important for the interpretation and understanding of the measured X-ray absorption fine structure in both materials, in particular for describing the σ*-peak structure." @default.
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- W2912482801 date "2019-02-15" @default.
- W2912482801 modified "2023-10-16" @default.
- W2912482801 title "Vibrational Effects in X-ray Absorption Spectra of Two-Dimensional Layered Materials" @default.
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- W2912482801 doi "https://doi.org/10.1021/acs.jpcc.9b00179" @default.
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