Zy. Wu et al., SULFUR K-EDGE X-RAY-ABSORPTION STUDY OF THE CHARGE-TRANSFER UPON LITHIUM INTERCALATION INTO TITANIUM DISULFIDE, Physical review letters, 77(10), 1996, pp. 2101-2104
Sulfur K-edge x-ray-absorption spectra have been recorded for lithium
intercalated titanium disulfides LixTiS2. The near-edge features up to
30 eV above threshold are interpreted in the framework of full multip
le-scattering theory. We show that the electrons transferred from inte
rcalated lithium atoms are not only located on Ti 3d orbitals, as prev
iously assumed, but also on the S 3p states. For comparison, we presen
t the S p-projected density of states derived from linear muffin-tin-o
rbital band structure calculations. An overall agreement between measu
rement and theory is very well achieved.