Electronic structure of CoxTiSe2 and CrxTiSe2
A. N. Titov, A. V. Kuranov, V. G. Pleschev, Yu. M. Yarmoshenko, M. V. Yablonskikh, A. V. Postnikov, S. Plogmann, M. Neumann, A. V. Ezhov, E. Z. Kurmaev
Abstract
The results of investigations of intercalated compounds CrxTiSe2 and CoxTiSe2 by X-ray photoelectron spectroscopy (XPS) and X-ray emission spectroscopy (XES) are presented. The data obtained are compared with theoretical results of spin-polarized band structure calculations. A good agreement between theoretical and experimental data for the electronic structure of the investigated materials has been observed. The interplay between the M3d--Ti3d hybridization (M=Cr, Co) and the magnetic moment at the M site is discussed. A 0.9 eV large splitting of the core Cr2p3/2 level was observed, which reveals a strong exchange magnetic interaction of 3d-2p electrons of Cr. In the case of a strong localization of the Cr3d electrons (for x<0.25), the broadening of the CrL spectra into the region of the states above the nominal Fermi level was observed and attributed to X-ray re-emission. The measured kinetic properties are in good accordance with spectral investigations and band calculation results.
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