Sulfur<i>K</i>-Edge X-Ray-Absorption Study of the Charge Transfer upon Lithium Intercalation into Titanium Disulfide

Abstract

Sulfur K-edge x-ray-absorption spectra have been recorded for lithium intercalated titanium disulfides ${\mathrm{Li}}_{x}{\mathrm{TiS}}_{2}$. The near-edge features up to 30 eV above threshold are interpreted in the framework of full multiple-scattering theory. We show that the electrons transferred from intercalated lithium atoms are not only located on Ti $3d$ orbitals, as previously assumed, but also on the S $3p$ states. For comparison, we present the S $p$-projected density of states derived from linear muffin-tin-orbital band structure calculations. An overall agreement between measurement and theory is very well achieved.