Spin frustration, charge ordering, and enhanced antiferromagnetism in TMTTF$_2$SbF$_6$

Details Spin frustration, charge ordering, and enhanced antiferromagnetism in TMTTF$_2$SbF$_6$ Spin frustration, charge ordering, and enhanced antiferromagnetism in TMTTF$_2$SbF$_6$

2011-10-17

arxiv.org/abs/1110.3575v2

Physics

Condensed Matter

Strongly Correlated Electrons

Fig. 2 (a) and Fig. 3(a) are revised. 4 pages, 4 figures, Proceedings of ECRYS 2011

Scientific paper

10.1016/j.physb.2012.01.029

We theoretically investigate the effects of charge order and spin frustration on the spin ordering in TMTTF salts. Using first-principles band calculations, we find that a diagonal inter-chain transfer integral $t_{q1}$, which causes spin frustration between the inter-chain dimers in the dimer-Mott insulating state, strongly depends on the choice of anion. Within the numerical Lanczos exact diagonalization method, we show that the ferroelectric charge order changes the role of $t_{q1}$ from the spin frustration to the enhancement of the two-dimensionality in spin sector. The results indicate that $t_{q1}$ assists the cooperative behavior between charge order and antiferromagnetic state observed in TMTTF$_2$SbF$_6$.

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