Abstract
The crystallographic structures under constraints of representatives salts of the title families lead to unexpected variations of the corresponding band structures and Fermi surfaces. We discuss in this study the role of the anion size for X −=ClO 4 −,ReO 4 − on the transfer integrals magnitude at different temperatures. For (TMTSF) 2ReO 4 at 125K, the two inequivalent dimers resulting from the anion ordering along a lead to a calculated site energy difference of 72 meV. For the same salt, it is found that in the 125K averaged structure, the interchain transfer integrals are very close to the (TMTSF) 2ClO 4 ones. Thus, it would be mainly the a -axis anion ordering which prevents at low T and ambient pressure the appearance of SC in the ReO 4 − salt.
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