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J. Sirker

Publications and source records attributed to J. Sirker.

At least 73 records · Page 4Linked to original sources

Thermally activated Peierls dimerization in ferromagnetic spin chains

We demonstrate that a Peierls dimerization can occur in ferromagnetic spin chains activated by thermal fluctuations. The dimer order parameter and entanglement measures are studied as functions of the modulation of the magnetic exchange interaction and temperature, using a spin-wave theory and the density-matrix renormalization group. We discuss the case where a periodic modulation is caused by spin-phonon coupling and the case where electronic states effectively induce such a modulation. The importance of the latter for a number of transition metal oxides is highlighted.

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Thermodynamics of impurities in the anisotropic Heisenberg spin-1/2 chain

The thermodynamics of finite open antiferromagnetic XXZ chains is studied using field theory, Bethe Ansatz and quantum Monte Carlo methods. For the susceptibility a parameter-free result as a function of the number of sites L and temperature T beyond the scaling limit is derived. The limiting cases T/J >> 1/L (J being the exchange constant), where the boundary correction shows a logarithmically suppressed Curie behaviour, and T/J << 1/L, where a crossover to the ground state behaviour takes place, are discussed in detail. Based on this analysis we present a simple formula for the averaged susceptibility of a spin-1/2 chain doped with non-magnetic impurities. We show that the effective Curie constant has a highly non-trivial temperature dependence and shows scaling in the low-temperature limit. Finally, corrections due to intra- and interchain couplings and implications for experiments on Sr_2 Cu_{1-x}Pd_x O_{3+δ} and related compounds are discussed.

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The Half-Filled One-Dimensional Extended Hubbard Model: Phase diagram and Thermodynamics

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 like the isothermal compressibility and the uniform magnetic susceptibility. For the isothermal compressibility we show that universal crossing points exist which allow 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 $U_t=6.7\pm 0.2$, $V_t =3.5\pm 0.1$. 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.

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Dynamical structure factor at small q for the XXZ spin-1/2 chain

We combine Bethe Ansatz and field theory methods to study the longitudinal dynamical structure factor S^{zz}(q,omega) for the anisotropic spin-1/2 chain in the gapless regime. Using bosonization, we derive a low energy effective model, including the leading irrelevant operators (band curvature terms) which account for boson decay processes. The coupling constants of the effective model for finite anisotropy and finite magnetic field are determined exactly by comparison with corrections to thermodynamic quantities calculated by Bethe Ansatz. We show that a good approximation for the shape of the on-shell peak of S^{zz}(q,omega) in the interacting case is obtained by rescaling the result for free fermions by certain coefficients extracted from the effective Hamiltonian. In particular, the width of the on-shell peak is argued to scale like delta omega_{q} ~ q^2 and this prediction is shown to agree with the width of the two-particle continuum at finite fields calculated from the Bethe Ansatz equations. An exception to the q^2 scaling is found at finite field and large anisotropy parameter (near the isotropic point). We also present the calculation of the high-frequency tail of S^{zz}(q,ω) in the region delta omega_{q}<< omega-vq << J using finite-order perturbation theory in the band curvature terms. Both the width of the on-shell peak and the high-frequency tail are compared with S^{zz}(q,omega) calculated by Bethe Ansatz for finite chains using determinant expressions for the form factors and excellent agreement is obtained. Finally, the accuracy of the form factors is checked against the exact first moment sum rule and the static structure factor calculated by Density Matrix Renormalization Group (DMRG).

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Boson decay and the dynamical structure factor for the XXZ chain at finite magnetic field

We study the longitudinal dynamical structure factor $S^{zz}(q,ω)$ for the anisotropic spin-1/2 (XXZ) chain at finite magnetic field using bosonization. The leading irrelevant operators in the effective bosonic model stemming from band curvature describe boson decay processes and lead to a high-frequency tail and a finite width $γ_q$ of the on-shell peak for $S^{zz}(q,ω)$. We use the Bethe ansatz to show that $γ_q\sim q^2$ for $q\ll 1$ and to calculate the amplitudes of the leading irrelevant operators in the effective field theory.

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Chain breaks and the susceptibility of Sr_2Cu_{1-x}Pd_xO_{3+δ} and other doped quasi one-dimensional antiferromagnets

We study the magnetic susceptibility of one-dimensional S=1/2 antiferromagnets containing non-magnetic impurities which cut the chain into finite segments. For the susceptibility of long anisotropic Heisenberg chain-segments with open boundaries we derive a parameter-free result at low temperatures using field theory methods and the Bethe Ansatz. The analytical result is verified by comparing with Quantum-Monte-Carlo calculations. We then show that the partitioning of the chain into finite segments can explain the Curie-like contribution observed in recent experiments on Sr_2Cu_{1-x}Pd_xO_{3+δ}. Possible additional paramagnetic impurities seem to play only a minor role.

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The density-matrix renormalization group applied to transfer matrices: Static and dynamical properties of one-dimensional quantum systems at finite temperature

The density-matrix renormalization group (DMRG) applied to transfer matrices allows it to calculate static as well as dynamical properties of one-dimensional quantum systems at finite temperature in the thermodynamic limit. To this end the quantum system is mapped onto a two-dimensional classical system by a Trotter-Suzuki decomposition. Here we discuss two different mappings: The standard mapping onto a two-dimensional lattice with checkerboard structure as well as an alternative mapping introduced by two of us. For the classical system an appropriate quantum transfer matrix is defined which is then treated using a DMRG scheme. As applications, the calculation of thermodynamic properties for a spin-1/2 Heisenberg chain in a staggered magnetic field and the calculation of boundary contributions for open spin chains are discussed. Finally, we show how to obtain real time dynamics from a classical system with complex Boltzmann weights and present results for the autocorrelation function of the XXZ-chain.

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The dynamical spin structure factor for the anisotropic spin-1/2 Heisenberg chain

The longitudinal spin structure factor for the XXZ-chain at small wave-vector q is obtained using Bethe Ansatz, field theory methods and the Density Matrix Renormalization Group. It consists of a peak with peculiar, non-Lorentzian shape and a high-frequency tail. We show that the width of the peak is proportional to q^2 for finite magnetic field compared to q^3 for zero field. For the tail we derive an analytic formula without any adjustable parameters and demonstrate that the integrability of the model directly affects the lineshape.

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Spin diffusion and the anisotropic spin-1/2 Heisenberg chain

Measurements of the spin-lattice relaxation rate 1/T_1 by nuclear magnetic resonance for the one-dimensional Heisenberg antiferromagnet Sr_2CuO_3 have provided evidence for a diffusion-like contribution at finite temperature and small wave-vector. By analyzing real-time data for the auto- and nearest-neighbor spin-spin correlation functions obtained by the density-matrix renormalization group I show that such a contribution indeed exists for temperatures T>J, where J is the coupling constant, but that it becomes exponentially suppressed for T << J. I present evidence that the frequency-dependence of 1/T_1 in the Heisenberg case is smoothly connected to that in the free fermion case where the exponential suppression of the diffusion-like contribution is easily understood.

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The J1-J2 model: First order phase transition versus deconfinement of spinons

We revisit the phase transition from the Néel ordered to a valence bond solid (VBS) state in the two-dimensional $J_1-J_2$ antiferromagnetic Heisenberg model. In the first part we address the question whether or not this transition could be an example of a second order phase transition due to a deconfinement of spinons. We give arguments based on series expansion and spin-wave theory that this is not the case and the transition is most likely first order. The method proposed here to detect first order phase transitions seems to be very sensitive and might be useful in other models as well. In the second part we analyze possible VBS patterns in the magnetically disordered phase based on numerical data for different susceptibilities, obtained in the ordered phase, which test the breaking of lattice symmetries. We conclude that a columnar dimerization pattern is the most likely candidate.

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The one-dimensional Hubbard model with open ends: Universal divergent contributions to the magnetic susceptibility

The magnetic susceptibility of the one-dimensional Hubbard model with open boundary conditions at arbitrary filling is obtained from field theory at low temperatures and small magnetic fields, including leading and next-leading orders. Logarithmic contributions to the bulk part are identified as well as algebraic-logarithmic divergences in the boundary contribution. As a manifestation of spin-charge separation, the result for the boundary part at low energies turns out to be independent of filling and interaction strength and identical to the result for the Heisenberg model. For the bulk part at zero temperature, the scale in the logarithms is determined exactly from the Bethe ansatz. At finite temperature, the susceptibility profile as well as the Friedel oscillations in the magnetisation are obtained numerically from the density-matrix renormalisation group applied to transfer matrices. Agreement is found with an exact asymptotic expansion of the relevant correlation function.

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The open XXZ-chain: Bosonisation, Bethe ansatz and logarithmic corrections

We calculate the bulk and boundary parts of the free energy for an open spin-1/2 XXZ-chain in the critical regime by bosonisation. We identify the cutoff independent contributions and determine their amplitudes by comparing with Bethe ansatz calculations at zero temperature T. For the bulk part of the free energy we find agreement with Lukyanov's result [Nucl.Phys.B 522, 533 (1998)]. In the boundary part we obtain a cutoff independent term which is linear in T and determines the temperature dependence of the boundary susceptibility in the attractive regime for $T\ll 1$. We further show that at particular anisotropies where contributions from irrelevant operators with different scaling dimensions cross, logarithmic corrections appear. We give explicit formulas for these terms at those anisotropies where they are most important. We verify our results by comparing with extensive numerical calculations based on a numerical solution of the T=0 Bethe ansatz equations, the finite temperature Bethe ansatz equations in the quantum-transfer matrix formalism, and the density-matrix renormalisation group applied to transfer matrices.

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Quantum versus classical behavior in the boundary susceptibility of the ferromagnetic Heisenberg chain

We calculate the temperature dependence of the boundary susceptibility $χ_B$ for the quantum ferromagnetic Heisenberg chain by a modified spin-wave theory (MSWT). We find that $χ_B$ diverges at low temperatures $\sim -T^{-3}$ and therefore more rapidly and with opposite sign than the bulk susceptibility $χ_{\text{bulk}}\sim T^{-2}$. Our result for $χ_B$ is identical in leading order with the result for the classical system. In next leading orders, however, quantum corrections to the classical result exist which are important to obtain a good description over a wide temperature range. For the $S=1/2$ case, we show that our full result from MSWT is in excellent agreement with numerical data obtained by the density-matrix renormalization group applied to transfer matrices. Finally, we discuss the quantum to classical crossover as well as consequences of our results for experiment in some detail.

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Real-time dynamics at finite temperature by DMRG: A path-integral approach

We propose a path-integral variant of the DMRG method to calculate real-time correlation functions at arbitrary finite temperatures. To illustrate the method we study the longitudinal autocorrelation function of the $XXZ$-chain. By comparison with exact results at the free fermion point we show that our method yields accurate results up to a limiting time which is determined by the spectrum of the reduced density matrix.

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The field-induced magnetic ordering transition in TlCuCl$_3$

In the first part we investigate in detail if the Bose-Einstein condensation scenario for magnons can quantitatively explain the observed field-induced magnetic ordering in TlCuCl$_3$. We use a bond-operator approach to map the spin system onto hard-core bosons and exactly account for the hard-core constraint in the dilute limit. We solve the hard-core model within the Hartree-Fock-Popov approximation and discuss its validity and the consequences of this approximation for the critical properties. In the second part the effects of spin-phonon and spin-orbit coupling are discussed within this framework. We show that the experimental magnetization and specific heat data are well described if a certain type of anisotropy is included. We also present predictions for the quasiparticle gap which might be tested in the future.

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Consequences of spin-orbit coupling for the Bose-Einstein condensation of magnons

In the first part we discuss how the BEC picture for magnons is modified by anisotropies induced by spin-orbit coupling. In particular we focus on the effects of antisymmetric spin interactions and/or a staggered component of the $g$ (gyromagnetic) tensor. Such terms lead to a gapped quasiparticle spectrum and a nonzero condensate density for all temperatures so that no phase transition occurs. We contrast this to the effect of crystal field anisotropies which are also induced by spin-orbit coupling. In the second part we study the field-induced magnetic ordering in TlCuCl$_3$ on a quantitative level. We show that the usual BEC picture does not allow for a good description of the experimental magnetisation data and argue that antisymmetric spin interactions and/or a staggered $g$ tensor component are still crucial, although both are expected to be tiny in this compound due to crystal symmetries. Including this type of interaction we obtain excellent agreement with experimental data.

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Bose-Einstein condensation of magnons in TlCuCl$_3$

A quantitative study of the field-induced magnetic ordering in TlCuCl$_3$ in terms of a Bose-Einstein condensation (BEC) of magnons is presented. It is shown that the hitherto proposed simple BEC scenario is in quantitative and qualitative disagreement with experiment. It is further shown that even very small Dzyaloshinsky-Moriya interactions or a staggered $g$ tensor component of a certain type can change the BEC picture qualitatively. Such terms lead to a nonzero condensate density for all temperatures and a gapped quasiparticle spectrum. Including this type of interaction allows us to obtain good agreement with experimental data.

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Thermodynamics of a one-dimensional S=1/2 spin-orbital model

The thermodynamic properties of a one-dimensional model describing spin dynamics in the presence of a twofold orbital degeneracy are studied numerically using the transfer-matrix renormalization group (TMRG). The model contains an integrable SU(4)-symmetric point and a gapless phase which is SU(4) invariant up to a rescaling of the velocities for spin and orbital degrees of freedom which allows detailed comparison of the numerical results with conformal field theory. We pay special attention to the correlation lengths which show an intriguing evolution with temperature. We find that the model shows an intrinsic tendency towards dimerization at finite temperature even if the ground state is not dimerized.

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