Quantitative resonant soft x-ray reflectivity from an organic semiconductor single crystal

R. Capelli, E. Da Como, G. Kociok-Köhn, C. Fontanesi, A. Verna, L. Pasquali

Research output: Contribution to journalArticlepeer-review

4 Citations (SciVal)

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 languageEnglish
Article number094707
JournalJournal of Chemical Physics
Volume150
Issue number9
Early online date5 Mar 2019
DOIs
Publication statusPublished - 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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