Conduction band symmetry in Ta chalcogenides from Ta L edge X-ray absorption spectroscopy (XAS)

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Abstract
The authors report measurements of the X-ray absorption spectra near the Ta L edges of different polytypes of TaS2 and TaSe2 and TaSe3. Analysis of structure seen near the absorption edges and associated with transitions from well defined core levels to conduction band states has enabled the extent of the p character of the predominantly d character conduction band to be probed. The results show that conduction band in the Ta chalcogenides studies has a significant amount of p character, and a lower limit of between 6 and 10% has been determined. The amount of p character varies between the various compounds in the following way: 1T-TaS232 approximately 1T-TaSe22. The Ta X-ray absorption edges have also been monitored during and after intercalation of the chalcogenides with hydrazine. Small changes in p character are observed and the results indicate that intercalation modifies the conduction band, not only through charge transfer but more significantly through changes in hybridisation of the band.

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