Unoccupied electronic structure of TiOCl studied by x-ray absorption near-edge spectroscopy

• Verfasst von: Glawion, Sebastian [VerfasserIn]
• Verfasst von: Haverkort, Maurits W. [VerfasserIn]
• Titel: Unoccupied electronic structure of TiOCl studied by x-ray absorption near-edge spectroscopy
• Verf.angabe: S. Glawion, M.W. Haverkort, G. Berner, M. Hoinkis, G. Gavrila, R. Kraus, M. Knupfer, M. Sing, and R. Claessen
• Fussnoten: Gesehen am 27.11.2017
• Titel Quelle: Enthalten in: De.arxiv.org
• Jahr Quelle: 2011
• Band/Heft Quelle: (2011) Artikel-Nummer 1110.5591, 12 Seiten
• Datenträger: Online-Ressource
• Sprache: eng
• K10plus-PPN: 1565719824

Abstract

We study the unoccupied electronic structure of the spin-1/2 quantum magnet TiOCl by x-ray absorption near-edge spectroscopy (XANES) at the Ti L and O K edges. Data is acquired both in total electron and fluorescence yield mode (TEY and FY, respectively). While only the latter allows to access the unconventional low-temperature spin-Peierls (SP) phase of TiOCl the signal is found to suffer from significant self-absorption in this case. Nevertheless, we conclude from FY data that effects of the SP distortion on the electronic structure are absent within experimental accuracy. The similarity of room-temperature FY and TEY data, the latter not being obscured by self-absorption, allows us to use TEY spectra for comparison with simulations. These are performed by cluster calculations in D$_{4h}$ and D$_{2h}$ symmetries using two different codes. We extract values of the crystal-field splitting (CFS) and parametrize our results in often found notations by Slater, Racah and Butler. In all cases, good agreement with published values from other studies is found.