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Vibrational Effects...
Vibrational Effects in X-ray Absorption Spectra of Two-Dimensional Layered Materials
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- Olovsson, Weine, 1975- (författare)
- Linköpings universitet,Tekniska fakulteten,Teoretisk Fysik
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- Mizoguchi, Teruyasu (författare)
- Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan
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- Magnuson, Martin, 1965- (författare)
- Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten
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- Kontur, Stefan (författare)
- Physics Department and IRIS Adlershof, Humboldt-Universität zu Berlin, Zum Großen Windkanal 6, 12489 Berlin, Germany
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- Hellman, Olle (författare)
- Department of Physics, Boston College, Chestnut Hill, Massachusetts 02467, United States / Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, California 91125, United States
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- Tanaka, Isao (författare)
- Department of Materials Science and Engineering, Kyoto University, Sakyo, Kyoto 606-8501, Japan
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- Draxl, Claudia (författare)
- Physics Department and IRIS Adlershof, Humboldt-Universität zu Berlin, Zum Großen Windkanal 6, 12489 Berlin, Germany; European Theoretical Spectroscopy Facility (ETSF)
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(creator_code:org_t)
- 2019-02-15
- 2019
- Engelska.
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Ingår i: The Journal of Physical Chemistry C. - : ACS Publications. - 1932-7447 .- 1932-7455. ; 123:15, s. 9688-9692
- Relaterad länk:
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https://liu.diva-por... (primary) (Raw object)
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https://authors.libr...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
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