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Compositionally modulated Fermi surfaces, structured diffuse scattering and ternary derivatives of 1T-TaS2 |
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| Authors: | Ray Leslie Withers,Carlos Otero-Diaz,Adrian Gó mez-Herrero,Albert Prodan,Lasse Noré n |
| Affiliation: | a Research School of Chemistry, Australian National University, Canberra, ACT 0200, Australia b Dpto. Química Inorgánica, Facultad de Ciencias Químicas, Universidad Complutense, E-28040 Madrid, Spain c Centro de Microscopía, Universidad Complutense, E-28040 Madrid, Spain d Insto. Ciencia de Materiales, CSIC, E-28049 Madrid, Spain e Jo?ef Stefan Institute, Jamova 39, SI-1000 Ljubljana, Slovenia |
| Abstract: | Ternary derivatives of 1T-TaS2 have been synthesized and the variation in the highly structured diffuse intensity distributions characteristic of such materials carefully monitored to investigate the effect that such substitution has upon the band structures and Fermi surfaces (FSs) of the materials. Removal of d electrons via the replacement of Ta ions with lower valent transition metal ions leads to a systematic increase in the radii of the characteristic structured diffuse intensity distribution. Extended Hückel tight binding calculations of the FSs of the doped samples are carried out and used to predict possible nesting wave-vectors. The results are in reasonably good agreement with the radii of the experimentally observed diffuse intensity distributions. |
| Keywords: | Ternary derivatives of 1T-TaS2 Structured diffuse scattering Effect of doping upon Fermi surface Effect of doping upon Tight binding calculations |
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