Abstract
Stability of three-fold lattice distortion in the insulating state of (DCNQI) 2 Cu isstudied by exactly diagonalizing a two-band Peierls Hubbard model on the 6×2 lattice. Self-doping is essentially important and caused by strong commensurability pinning, which are a consequence of moderate coupling of DCNQI π electrons with lattice and strong correlation of Cu d electrons.
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