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arXiv:cond-mat/0011169

Accurate Computation of the Magnetic Susceptibility for the Normal Phase of Organic Conductors

S. Moukouri

Published Nov 9, 2000• 0 citations
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Abstract

The magnetic susceptibility of the quarter-filled one-dimensional extended Hubbard model is calculated using the density-matrix renormalization group technique. It is found that in the charge gap regime of the model ($U> 4t $ and $V > 2t$), or in the metallic region with important superconductive fluctuations ($U<4t$ and $V>2t$), $χ(T)$ displays a singularity at T=0 and an inflection point at low temperatures that are similar to what occurs in the spin-half quantum spin chain. These results, whose accuracy outdoes that of any other available technique, are useful data which allow a comparison between theory and experiment in the normal phase of the organic conductors.

DOI
10.48550/arxiv.cond-mat/0011169

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The magnetic susceptibility of the quarter-filled one-dimensional extended Hubbard model is calculated using the density-matrix renormalization group technique. It is found that in the charge gap regime of the model (U>4tU> 4t U>4t and V>2tV > 2tV>2t), or in the metallic region with important superconductive fluctuations (U<4tU<4tU<4t and V>2tV>2tV>2t), χ(T)χ(T)χ(T) displays a singularity at T=0 and an inflection point at low temperatures that are similar to what occurs in the spin-half quantum spin chain. These results, whose accuracy outdoes that of any other available technique, are useful data which allow a comparison between theory and experiment in the normal phase of the organic conductors.
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We study the thermodynamics of the one-dimensional extended Hubbard model at half filling using a density-matrix renormalization group method applied to transfer matrices. We show that the various phase transitions in this system can be detected by measuring usual thermodynamic quantities such as the isothermal compressibility and the uniform magnetic susceptibility. For the isothermal compressibility, we show that universal crossing points exist, which allow us to accurately determine the line where the charge gap vanishes. By studying, in addition, several correlation functions, we confirm the existence of a phase with long-range dimer order (bond order), which has been a matter of debate for several years. According to our calculations, this phase is located in a narrow region between the spin-density and charge-density wave phases up to a tricritical point, which we estimate to be at ${U}_{t}=6.7\ifmmode\pm\else\textpm\fi{}0.2$, ${V}_{t}=3.5\ifmmode\pm\else\textpm\fi{}0.1$. Our results for the phase diagram are in good agreement with the most recent zero-temperature density-matrix renormalization group study; however, they disagree in some important aspects from the most recent Quantum-Monte-Carlo study.
We study finite-temperature transport properties of the one-dimensional Hubbard model using the density matrix renormalization group. Our aim is twofold: First, we compute both the charge- and the spin-current correlation function of the integrable model at half filling. The former decays rapidly, implying that the corresponding Drude weight is either zero or very small. Second, we calculate the optical charge conductivity ${\ensuremath{\sigma}}_{r}eg(\ensuremath{\omega})$ in the presence of small integrability-breaking next-nearest-neighbor interactions (the extended Hubbard model). The dc conductivity is finite and diverges as the temperature is decreased below the gap. Our results thus suggest that the half-filled, gapped Hubbard model is a normal charge conductor at finite temperatures. As a test bed for our numerics, we compute ${\ensuremath{\sigma}}_{r}eg(\ensuremath{\omega})$ for the integrable XXZ spin chain in its gapped phase.
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