Thermodynamics of Spin S = 1/2 Antiferromagnetic Uniform and Alternating-Exchange Heisenberg Chains

Abstract

The magnetic susceptibility chi and specific heat C versus temperature T of the spin-1/2 antiferromagnetic alternating-exchange (J1 and J2) Heisenberg chain are studied for the entire range 0 \leq alpha \leq 1 of the alternation parameter alpha = J2/J1. For the uniform chain (alpha = 1), detailed comparisons of the high-accuracy chi(T) and C(T) Bethe ansatz data of Kluemper and Johnston are made with the asymptotically exact low-T field theory predictions of Lukyanov. QMC simulations and TMRG calculations of chi(alpha,T) are presented. From the low-T TMRG data, the spin gap Delta(alpha)/J1 is extracted for 0.8 \leq alpha \leq 0.995. High accuracy fits to all of the above numerical data are obtained. We examine in detail the theoretical predictions of Bulaevskii for chi(alpha,T) and compare them with our results. Our experimental chi(T) and C(T) data for NaV2O5 single crystals are modeled in detail. The chi(T) data above the spin dimerization temperature Tc = 34 K are not in agreement with the prediction for the uniform Heisenberg chain, but can be explained if there is a moderate ferromagnetic interchain coupling and/or if J changes with T. By fitting the chi(T) data, we obtain Delta(T = 0) = 103(2) K, alternation parameter delta(0) = (1 - alpha)/(1 + alpha) = 0.034(6) and average exchange constant J(0) = 640(80) K. The delta(T) and Delta(T) are derived from the data. A spin pseudogap with a large magnitude \approx 0.4 Delta(0) is consistently found just above Tc, which decreases with increasing T. Analysis of our C(T) data indicates that at Tc, at least 77% of the entropy change due to the transition at Tc and associated order parameter fluctuations arise from the lattice and/or charge degrees of freedom and less than 23% from the spin degrees of freedom.

53 two-column REVTeX pages, 50 embedded figures, 7 tables. Revisions required due to incorrect Eq. (39) in Ref. 51 which gives the low-T approximation for the specific heat of a S = 1/2 1D system with a spin gap; no conclusions were changed. Additional minor revisions made. Phys. Rev. B (in press)

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• NaV_2O_5 as a quarter-filled ladder compound
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• Low energy effective Hamiltonian for the XXZ spin chain
• The spin-1/2 Heisenberg chain: thermodynamics, quantum criticality and spin-Peierls exponents
• Experimental evidence for a spin-Peierls-transition in ${\alpha }^{\prime }-Na{V}_2{O}_5$
• Thermodynamics of quantum Heisenberg spin chains
• Phase diagram of a Heisenberg spin-Peierls model with quantum phonons
• A new view of the electronic structure of the spin-Peierls compound alpha'-NaV2O5
• Charged Magnons in NaV2O5
• Charge ordering and spin- Peierls transition in alpha'-NaV2O5
• Charge ordering and opening of spin gap in NaV_2O_5
• Peierls Dimerization with Non-Adiabatic Spin-Phonon Coupling
• Anomalous thermal conductivity of NaV2O5 as compared to conventional spin-Peierls system CuGeO3
• Specific Heat (1.2-108 K) and Thermal Expansion (4.4-297 K) Measurements of the 3d Heavy Fermion Compound LiV_{2}O_{4}
• Interference of a first-order transition with the formation of a spin-Peierls state in alpha'-NaV2O5?
• Coexistence of charge density wave and spin-Peierls orders in quarter-filled quasi-one dimensional correlated electron systems
• Monte Carlo Study of Correlations in Quantum Spin Chains at Non-Zero Temperature
• Magnon splitting induced by charge ordering in NaV_2O_5
• Dynamical properties of the spin-Peierls compound α'--NaV2O5
• Unified Quantum Mechanical Picture for Confined Spinons in Dimerized and Frustrated Spin S=1/2 Chains
• Finite Temperature DMRG Investigation of the Spin-Peierls Transition in CuGeO${}_3$
• Magnetic bound states in the quarter-filled ladder system ${\alpha }^{\prime }-Na{V}_2{O}_5$}
• Optical spectroscopic study of the interplay of spin and charge in NaV2O5
• Dynamical properties of low dimensional CuGeO3 and NaV2O5 systems
• Finite Temperature Effects in One-dimensional Mott-Hubbard Insulator: Angle-Resolved Photoemission Study of Na_{0.96}V_{2}O_{5}
• Elastic Constants and Charge Ordering in a'-NaV2O5
• Quantum Monte Carlo Simulation of the Trellis Lattice Heisenberg Model for SrCu${}_2$O${}_3$ and CaV${}_2$O${}_5$
• Study of spin-Peierls transition in alpha'--NaV2O5 by infrared reflectivity
• X-ray Investigation of the Magneto-elastic Instability of alpha'-NaV2O5
• Magnetic properties of NaV2O5, a one-dimensional spin 1/2 antiferromagnet with finite chains
• Thermodynamical Properties of a Spin 1/2 Heisenberg Chain Coupled to Phonons
• NaV_2O_5 as an Anisotropic t-J Ladder at Quarter Filling
• Optical Conductivity of the Trellis-Lattice t-J Model: Charge Fluctuations in NaV_2O_5
• Dynamical Transition from Triplets to Spinon Excitations: A Series Expansion Study of the $J_1-J_2-\delta$ spin-half chain
• Magnetic Resonance in the Spin-Peierls compound ${\alpha }^{\prime }-Na{V}_2{O}_5$
• A Model Study of the Low-Energy Charge Dynamics of NaV_2O_5
• Infrared study of spin-Peierls compound alpha'-NaV2O5
• The symmetry problem in NaV2O5

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