Abstract:We investigate Knight shift and nuclear spin relaxation rate in a charge ordered state of the one-dimensional extended Hubbard model with a quarter filled band by using RPA around the mean-field solution. It is shown that both quantities show splitting below the critical temperature of the charge order, as is experimentally observed. The relationship between the mount of the splitting in the both quantities and the charge disproportionation rate is discussed.
“…Then the 4k F -component of the density operators is expressed in part by the q = 0 density operators around the Fermi energy, namely, the slowly-varying component of the charge/spin density becomes a part of its 4k F component. This is directly related to the splitting in the NMR spectrum since the response under uniform magnetic field at each site becomes disproportionated with a period of two sites 27 reflecting the Knight shift. In the phase representation, the staggered component of the spin density m 4kF (x) is proportional to the slowly varying component of the spin density…”
We theoretically investigate the competition between charge-ordered state and
Mott insulating state at finite temperatures in quarter-filled
quasi-one-dimensional electron systems, by studying dimerized extended Hubbard
chains with interchain Coulomb interactions. In order to take into account
one-dimensional fluctuations properly, we apply the bosonization method to an
effective model obtained by the interchain mean-field approximation. The
results show that lattice dimerization, especially in the critical region, and
frustration in the interchain Coulomb interactions reduce the charge-ordering
phase transition temperature and enlarge the dimer-Mott insulating phase. We
also derive a general formula of the Knight shift in the charge-ordered phase
and its implication to experiments is discussed.Comment: 5 pages, 4 figures, to be published in J. Phys. Soc. Jpn. Vol.76
No.1
“…Then the 4k F -component of the density operators is expressed in part by the q = 0 density operators around the Fermi energy, namely, the slowly-varying component of the charge/spin density becomes a part of its 4k F component. This is directly related to the splitting in the NMR spectrum since the response under uniform magnetic field at each site becomes disproportionated with a period of two sites 27 reflecting the Knight shift. In the phase representation, the staggered component of the spin density m 4kF (x) is proportional to the slowly varying component of the spin density…”
We theoretically investigate the competition between charge-ordered state and
Mott insulating state at finite temperatures in quarter-filled
quasi-one-dimensional electron systems, by studying dimerized extended Hubbard
chains with interchain Coulomb interactions. In order to take into account
one-dimensional fluctuations properly, we apply the bosonization method to an
effective model obtained by the interchain mean-field approximation. The
results show that lattice dimerization, especially in the critical region, and
frustration in the interchain Coulomb interactions reduce the charge-ordering
phase transition temperature and enlarge the dimer-Mott insulating phase. We
also derive a general formula of the Knight shift in the charge-ordered phase
and its implication to experiments is discussed.Comment: 5 pages, 4 figures, to be published in J. Phys. Soc. Jpn. Vol.76
No.1
“…The observation that the shift of resonance frequency of NMR shows splitting and/or the relaxation rate of the nuclear spin becomes multi-components has been considered to be the experimental evidence of CO [2][3][4]. In fact, in the case of CO with a 2-fold periodicity of the onedimensional (1D) systems, the above have been proved theoretically [5]. However, it is not obvious whether the splitting reflects the charge disproportionation or enlargement of the periodicity in the charge ordered state.…”
“…12 Several have actually studied finite-T properties of these models. Mean-field studies have been performed, [13][14][15] but such an approach fails, in general, to reproduce paramagnetic insulating phases which are observed in the above compounds at intermediate T . Moreover, when fluctuation effects are properly taken into account, purely electronic 1D models do not show phase transitions unless T = 0.…”
Phase transitions in 1/4-filled quasi-one-dimensional molecular conductors are studied theoretically on the basis of extended Hubbard chains including electron-lattice interactions coupled by interchain Coulomb repulsion. We apply the numerical quantum transfer-matrix method to an effective one-dimensional model, treating the interchain term within mean-field approximation. Finite-temperature properties are investigated for the charge ordering, the "dimer Mott" transition (bond dimerization), and the spin-Peierls transition (bond tetramerization). A coexistent state of charge order and bond dimerization exhibiting dielectricity is predicted in a certain parameter range, even when intrinsic dimerization is absent.
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