Band structure and Fermi surface of the (BEDT-TTF) 4M[Fe(CN) 5NO] 2 (M=Na, K, Rb,…) molecular metals containing the photochromic nitroprusside anion

Tight-binding band structure calculations for the room temperature crystal structure of the new family of (BEDT-TTF) 4M[Fe(CN) 5NO] 2 (M=Na, K, Rb, NH 4, Cs, Tl) salts are reported. It is shown that the Fermi surface of these salts contains two contributions: (a) a strongly warped non-nested open pa...

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Bibliographic Details
Published in:Solid state communications 1999-07, Vol.111 (6), p.329-333
Main Authors: Gener, M., Canadell, E., Khasanov, S.S., Zorina, L.V., Shibaeva, R.P., Kushch, L.A., Yagubskii, E.B.
Format: Article
Language:English
Subjects:
A. Metals
A. Organic crystals
C. Crystal structure
D. Electronic band structure
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Summary:Tight-binding band structure calculations for the room temperature crystal structure of the new family of (BEDT-TTF) 4M[Fe(CN) 5NO] 2 (M=Na, K, Rb, NH 4, Cs, Tl) salts are reported. It is shown that the Fermi surface of these salts contains two contributions: (a) a strongly warped non-nested open part and (b) a contribution which can be open or closed depending on minor changes in the donor–donor interactions which in either case exhibits well-nested portions. Because of these features, the pressure dependence of both the magnetoresistance measurements and the possible occurrence of density wave instabilities would be very interesting to study.
ISSN:0038-1098
1879-2766
DOI:10.1016/S0038-1098(99)00215-X