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Interpretation of preedge features in the Ti and S K-edge x-ray-absorption near-edge spectrain the layered disulfidesTiS2andTaS2

Authors :
Guy Ouvrard
Z. Y. Wu
Philippe Moreau
Calogero R. Natoli
Source :
Physical Review B. 55:9508-9513
Publication Year :
1997
Publisher :
American Physical Society (APS), 1997.

Abstract

The electronic structure of the layered titanium and tantalum disulfides ${\mathrm{TiS}}_{2}$ and ${\mathrm{TaS}}_{2}$ is investigated by the experimental sulfur and titanium K-edge x-ray-absorption near-edge structures, full multiple-scattering theory, and tight-binding linear muffin-tin orbital band-structure method. Good agreement between experimental data and theoretical calculations is obtained, especially in preedge regions that are interpreted in terms of mixing between the central atom p and higher-neighboring metal d orbitals. The variation of width and intensity of the prepeak is associated with the occupation of the d band and linked with metal site symmetry.

Details

ISSN :
10953795 and 01631829
Volume :
55
Database :
OpenAIRE
Journal :
Physical Review B
Accession number :
edsair.doi...........37f275e6cd3d893ae0d96a523aaa00b9
Full Text :
https://doi.org/10.1103/physrevb.55.9508