Abstract
Resonant soft X-ray reflectivity at the carbon K-edge was applied to a trigonal tetracene single crystal. The angular resolved reflectivity was quantitatively simulated describing the tetracene crystal in terms of its dielectric tensor, which was derived from the anisotropic absorption cross section of the single molecule, as calculated by density functional theory. A good agreement was found between the experimental and theoretically predicted reflectivity. This allows us to assess the anisotropic optical constants of the organic material, probed at the carbon K-edge, in relation to the bulk/surface structural and electronic properties of the crystal, through empty energy levels.
Original language | English |
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Article number | 094707 |
Journal | Journal of Chemical Physics |
Volume | 150 |
Issue number | 9 |
Early online date | 5 Mar 2019 |
DOIs | |
Publication status | Published - 5 Mar 2019 |
Funding
We acknowledge the assistance of the BEAR beamline staff during experiments (Proposal No. 20150195). E.D.C. is grateful to the Royal Society for a research grant (No. IES/R2/170096). Some of us (A.V. and L.P. in particular) are deeply in debt with N. Mahne and S. Nannarone for their fundamental work in the development of the reflectivity simulation method and related computer code.
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry
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Dual source (Cu and Mo) Single Crystal Diffractometer (SuperNova)
Material and Chemical Characterisation (MC2)Facility/equipment: Equipment