Electronic structure of Co x TiSe 2 and Cr x TiSe 2

2001 
The results of investigations of intercalated compounds ${\mathrm{Cr}}_{x}{\mathrm{TiSe}}_{2}$ and ${\mathrm{Co}}_{x}{\mathrm{TiSe}}_{2}$ by x-ray photoelectron spectroscopy and x-ray emission spectroscopy 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 M $3d\char21{}\mathrm{Ti}$ $3d$ hybridization $(M=\mathrm{Cr},$ Co) and the magnetic moment at the M site is discussed. A 0.9-eV large splitting of the core $\mathrm{Cr}\phantom{\rule{0ex}{0ex}}{2p}_{3/2}$ level was observed, which reveals a strong exchange magnetic interaction of $3d\ensuremath{-}2p$ electrons of Cr. In the case of a strong localization of the Cr $3d$ electrons (for $xl0.25),$ the broadening of the Cr L spectra into the region of the states above the nominal Fermi level was observed and attributed to x-ray reemission. The measured kinetic properties are in good accordance with spectral investigations and band calculation results.
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