Va. Merzhanov et al., ELECTRONIC-PROPERTIES OF ISOSTRUCTURAL ORGANIC CONDUCTORS (ET)(3)(HSO4)(2) AND [NI(DDDT)(2)](3)(HSO4)(2) - THERMOPOWER AND TIGHT-BINDING CALCULATIONS, Synthetic metals, 71(1-3), 1995, pp. 1867-1868
The temperature dependence of thermopower of isostructural molecular c
onductors [Ni(dddt)(2)](3)(HSO4)(2) and (ET)(3)(HSO4)(2) has been inve
stigated. Drastic difference in S(T) dependences is qualitatively expl
ained on basis of tight binding band structure calculations. A peak at
25 K in [Ni(dddt)(2)](3)(HSO4)(2) was shown to be manifestation of me
tal to semimetal phase transition, and the abrupt decrease at 125 K in
(ET)(3)(HSO4)(2) is concerned with metal to insulator phase transitio
n. Rather complex semimetal band structure was found in both cases.