Abstract
An electronic band structure model is constructed for the organic charge- transfer complex HMTSeF-TCNQ, which is semi-metallic under pressure down to the lowest investigated temperatures. Some experimental data is used to estimate the various integrals involved. Admixture of molecular excited states of opposite parity to the ground state quenches the covalency gap and gives rise to a Fermi surface consisting of an ellipsoid of “electrons” and a more cylindrical FS of “holes” with long axes in the c-direction, and rather flat in the b-direction. Excellent agreement with all (independent) experimental observations is obtained.
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