arXiv subjects

A. Honecker

Publications and source records attributed to A. Honecker.

At least 37 records · Page 2Linked to original sources

arXiv2011

Analysis of the phase transition for the Ising model on the frustrated square lattice

We analyze the phase transition of the frustrated $J_1$-$J_2$ Ising model with antiferromagnetic nearest- and strong next-nearest neighbor interactions on the square lattice. Using extensive Monte Carlo simulations we show that the nature of the phase transition for $1/2 < J_2/J_1 \lesssim 1$ is not of the weakly universal type -- as commonly believed -- but we conclude from the clearly doubly peaked structure of the energy histograms that the transition is of weak first order. Motivated by these results, we analyze the phase transitions via field-theoretic methods; i.e., we calculate the central charge of the underlying field theory via transfer-matrix techniques and present, furthermore, a field-theoretic discussion on the phase-transition behavior of the model. Starting from the conformally invariant fixed point of two decoupled critical Ising models ($J_1 = 0$), we calculate the effect of the nearest neighbor coupling term perturbatively using operator product expansions. As an effective action we obtain the Ashkin-Teller model.

cond-mat.stat-mech↗

arXiv2011

Quantum disordered ground state for the frustrated square lattice

We present Quantum Monte-Carlo simulations of an exchange-anisotropic spin-1/2 Heisenberg model on a square lattice with nearest and next-nearest neighbor interactions. The ground state phase diagram shows two classical magnetically ordered phases for dominating antiferromagnetic S^z-interactions and for large quantum fluctuations a ferromagnetic order in the x-y plane. In between a finite region is detected where neither classical nor quantum mechanical order, e.g. long-ranged dimer correlations, are found.

cond-mat.str-el↗

arXiv2011

Magnetic Exchange Interactions in BaMn2As2: A Case Study of the J1-J2-Jc Heisenberg Model

BaMn2As2 is unique among BaT2As2 compounds crystallizing in the body-centered-tetragonal ThCr2Si2 structure, which contain stacked square lattices of 3d transition metal T atoms, since it has an insulating large-moment (3.9 muB/Mn) G-type (checkerboard) antiferromagnetic AF ground state. We report measurements of the anisotropic magnetic susceptibility chi versus temperature T from 300 to 1000 K of single crystals of BaMn2As2, and magnetic inelastic neutron scattering measurements at 8 K and 75As NMR measurements from 4 to 300 K of polycrystalline samples. The Neel temperature determined from the chi(T) measurements is TN = 618(3) K. The measurements are analyzed using the J1-J2-Jc Heisenberg model. Linear spin wave theory for G-type AF ordering and classical and quantum Monte Carlo simulations and molecular field theory calculations of chi(T) and of the magnetic heat capacity Cmag(T) are presented versus J1, J2 and Jc. We also obtain band theoretical estimates of the exchange couplings in BaMn2As2. From analyses of our chi(T), NMR, neutron scattering, and previously published heat capacity data for BaMn2As2 on the basis of the above theories for the J1-J2-Jc Heisenberg model and our band-theoretical results, our best estimates of the exchange constants in BaMn2As2 are J1 = 13 meV, J2/J1 = 0.3 and Jc/J1 = 0.1, which are all antiferromagnetic. From our classical Monte Carlo simulations of the G-type AF ordering transition, these exchange parameters predict TN = 640 K for spin S = 5/2, in close agreement with experiment. Using spin wave theory, we also utilize these exchange constants to estimate the suppression of the ordered moment due to quantum fluctuations for comparison with the observed value and again obtain S = 5/2 for the Mn spin.

cond-mat.str-el↗

arXiv2011

Adaptive Lanczos-vector method for dynamic properties within the density-matrix renormalization group

Current widely-used approaches to calculate spectral functions using the density-matrix renormalization group in frequency space either necessarily include an artificial broadening (correction-vector method) or have limited resolution (time-domain density-matrix renormalization group with Fourier transform method). Here we propose an adaptive Lanczos-vector method to calculate the coefficients of a continued fraction expansion of the spectral function iteratively. We show that one can obtain a very accurate representation of the spectral function very efficiently, and that one can also directly extract the spectral weights and poles for the discrete system. As a test case, we study spinless fermions in one dimension and compare our approach to the correction vector method.

cond-mat.str-el↗

arXiv2010

Magnetocaloric effect and magnetic cooling near a field-induced quantum-critical point

The presence of a quantum critical point (QCP) can significantly affect the thermodynamic properties of a material at finite temperatures T. This is reflected, e.g., in the entropy landscape S(T, r) in the vicinity of a QCP, yielding particularly strong variations for varying the tuning parameter r such as pressure or magnetic field B. Here we report on the determination of the critical enhancement of $ δS / δB$ near a B-induced QCP via absolute measurements of the magnetocaloric effect (MCE), $(δT / δB)_S$, and demonstrate that the accumulation of entropy around the QCP can be used for efficient low-temperature magnetic cooling. Our proof of principle is based on measurements and theoretical calculations of the MCE and the cooling performance for a Cu$^{2+}$-containing coordination polymer, which is a very good realization of a spin-1/2 antiferromagnetic Heisenberg chain - one of the simplest quantum-critical systems.

cond-mat.str-el↗

arXiv2010

Magnetic properties of the Hubbard model on kagome stripes

We consider the one-orbital $N$-site repulsive Hubbard model on two kagome-like chains, both of which yield a completely dispersionless (flat) one-electron band. Using exact many-electron ground states in the subspaces with $n\le n_{\max}$ ($n_{\max}\propto N$) electrons, we calculate the square of the total spin in the ground state to discuss magnetic properties of the models. We have found that although for $n<n_{\max}$ the ground states contain fully polarized states, there is no finite region of electron densities $n/{\cal{N}} <1$ (${\cal{N}}=N/3$ or ${\cal{N}}=N/5$) where ground-state ferromagnetism survives for ${\cal{N}}\to\infty$.

cond-mat.str-el↗

arXiv2009

Low-temperature properties of the Hubbard model on highly frustrated one-dimensional lattices

We consider the repulsive Hubbard model on three highly frustrated one-dimensional lattices -- sawtooth chain and two kagomé chains -- with completely dispersionless (flat) lowest single-electron bands. We construct the complete manifold of {\em exact many-electron} ground states at low electron fillings and calculate the degeneracy of these states. As a result, we obtain closed-form expressions for low-temperature thermodynamic quantities around a particular value of the chemical potential $μ_0$. We discuss specific features of thermodynamic quantities of these ground-state ensembles such as residual entropy, an extra low-temperature peak in the specific heat, and the existence of ferromagnetism and paramagnetism. We confirm our analytical results by comparison with exact diagonalization data for finite systems.

cond-mat.str-el↗

arXiv2009

Magnetocaloric effect in quantum spin-s chains

We compute the entropy of antiferromagnetic quantum spin-s chains in an external magnetic field using exact diagonalization and Quantum Monte Carlo simulations. The magnetocaloric effect, i.e., temperature variations during adiabatic field changes, can be derived from the isentropes. First, we focus on the example of the spin-s=1 chain and show that one can cool by closing the Haldane gap with a magnetic field. We then move to quantum spin-s chains and demonstrate linear scaling with $s$ close to the saturation field. In passing, we propose a new method to compute many low-lying excited states using the Lanczos recursion.

cond-mat.str-el↗

arXiv2009

Magnetization Process of the Classical Heisenberg Model on the Shastry-Sutherland Lattice

We investigate classical Heisenberg spins on the Shastry-Sutherland lattice and under an external magnetic field. A detailed study is carried out both analytically and numerically by means of classical Monte-Carlo simulations. Magnetization pseudo-plateaux are observed around 1/3 of the saturation magnetization for a range of values of the magnetic couplings. We show that the existence of the pseudo-plateau is due to an entropic selection of a particular collinear state. A phase diagram that shows the domains of existence of those pseudo-plateaux in the $(h, T)$ plane is obtained.

cond-mat.str-el↗

arXiv2009

Ground-state degeneracy and low-temperature thermodynamics of correlated electrons on highly frustrated lattices

Highly frustrated lattices yield a completely flat lowest single-electron band. Remarkably, exact many-body ground states can be constructed for the repulsive Hubbard model and the t-J model by filling this flat band with localized electron states. This construction leads to a macroscopic ground-state degeneracy. We discuss how to compute these ground-state degeneracies for a certain class of models, including in particular the sawtooth chain. Furthermore, we discuss generic consequences for low-temperature thermodynamic properties, like the appearance of a low-temperature peak in the specific heat. Finally, we present complementary numerical results obtained by exact diagonalization.

cond-mat.str-el↗

arXiv2009

Magnetization plateaux in the classical Shastry-Sutherland lattice

We investigated the classical Shastry-Sutherland lattice under an external magnetic field in order to understand the recently discovered magnetization plateaux in the rare-earth tetraborides compounds RB$_4$. A detailed study of the role of thermal fluctuations was carried out by mean of classical spin waves theory and Monte-Carlo simulations. Magnetization quasi-plateaux were observed at 1/3 of the saturation magnetization at non zero temperature. We showed that the existence of these quasi-plateaux is due to an entropic selection of a particular collinear state. We also obtained a phase diagram that shows the domains of existence of different spin configurations in the magnetic field versus temperature plane.

cond-mat.str-el↗

arXiv2008

Single Crystal Growth, Crystallography, Magnetic Susceptibility, Heat Capacity, and Thermal Expansion of the Antiferromagnetic S = 1 Chain Compound CaV2O4

The compound CaV2O4 contains V^{+3} cations with spin S = 1 and has an orthorhombic structure at room temperature containing zigzag chains of V atoms running along the c-axis. We have grown single crystals of CaV2O4 and report crystallography, static magnetization, magnetic susceptibility χ, ac magnetic susceptibility, heat capacity Cp, and thermal expansion measurements in the temperature T range of 1.8-350 K on the single crystals and on polycrystalline samples. An orthorhombic to monoclinic structural distortion and a long-range antiferromagnetic (AF) transition were found at sample-dependent temperatures T_S \approx 108-145 K and T_N \approx 51-76 K, respectively. In two annealed single crystals, another transition was found at \approx 200 K. In one of the crystals, this transition is mostly due to V2O3 impurity phase that grows coherently in the crystals during annealing. However, in the other crystal the origin of this transition at 200 K is unknown. The χ(T) shows a broad maximum at \approx 300 K associated with short-range AF ordering and the anisotropy of χabove T_N is small. The anisotropic χ(T \to 0) data below T_N show that the (average) easy axis of the AF magnetic structure is the b-axis. The Cp(T) data indicate strong short-range AF ordering above T_N, consistent with the χ(T) data. We fitted our χ(T) data near room temperature by a J1-J2 S = 1 Heisenberg chain model, where J1(J2) is the (next)-nearest-neighbor exchange interaction. We find J1 \approx 230 K, and surprisingly, J2/J1 \approx 0 (or J1/J2 \approx 0). The interaction J_\perp between these S = 1 chains leading to long-range AF ordering at T_N is estimated to be J_\perp/J_1 \gtrsim 0.04.

cond-mat.str-el↗

arXiv2008

The sawtooth chain: From Heisenberg spins to Hubbard electrons

We report on recent studies of the spin-half Heisenberg and the Hubbard model on the sawtooth chain. For both models we construct a class of exact eigenstates which are localized due to the frustrating geometry of the lattice for a certain relation of the exchange (hopping) integrals. Although these eigenstates differ in details for the two models because of the different statistics, they share some characteristic features. The localized eigenstates are highly degenerate and become ground states in high magnetic fields (Heisenberg model) or at certain electron fillings (Hubbard model), respectively. They may dominate the low-temperature thermodynamics and lead to an extra low-temperature maximum in the specific heat. The ground-state degeneracy can be calculated exactly by a mapping of the manifold of localized ground states onto a classical hard-dimer problem, and explicit expressions for thermodynamic quantities can be derived which are valid at low temperatures near the saturation field for the Heisenberg model or around a certain value of the chemical potential for the Hubbard model, respectively.

cond-mat.str-el↗

arXiv2008

Magneto-thermal properties of the spin-s Heisenberg antiferromagnet on the cuboctahedron

We use the example of the cuboctahedron, a highly frustrated molecule with 12 sites, to study the approach to the classical limit. We compute magnetic susceptibility, specific heat, and magnetic cooling rate at high magnetic fields and low temperatures for different spin quantum numbers s. Remarkably big deviations of these quantities from their classical counterparts are observed even for values of s which are usually considered to be almost classical.

cond-mat.str-el↗

arXiv2008

Monte Carlo studies of the Ising square lattice with competing interactions

We use improved Monte-Carlo algorithms to study the antiferromagnetic 2D-Ising model with competing interactions $J_1$ on nearest neighbour and $J_2$ on next-nearest neighbour bonds. The finite-temperature phase diagram is divided by a critical point at $J_2 = J_1/2$ where the groundstate is highly degenerate. To analyse the phase boundaries we look at the specific heat and the energy distribution for various ratios of $J_2/J_1$. We find a first order transition for small $J_2 > J_1/2$ and the transition temperature suppressed to $T_C=0$ at the critical point.

cond-mat.stat-mech↗

arXiv2008

Phase diagram of the Ising square lattice with competing interactions

We restudy the phase diagram of the 2D-Ising model with competing interactions $J_1$ on nearest neighbour and $J_2$ on next-nearest neighbour bonds via Monte-Carlo simulations. We present the finite temperature phase diagram and introduce computational methods which allow us to calculate transition temperatures close to the critical point at $J_2 = 0.5 J_1$. Further on we investigate the character of the different phase boundaries and find that the transition is weakly first order for moderate $J_2 > 0.5 J_1$.

cond-mat.stat-mech↗

arXiv2008

Enhanced low-temperature entropy and flat-band ferromagnetism in the t-J model on the sawtooth lattice

Using the example of the sawtooth chain, we argue that the t-J model shares important features with the Hubbard model on highly frustrated lattices. The lowest single-fermion band is completely flat (for a specific choice of the hopping parameters $t_{i,j}$ in the case of the sawtooth chain), giving rise to single-particle excitations which can be localized in real space. These localized excitations do not interact for sufficient spatial separations such that exact many-electron states can also be constructed. Furthermore, all these excitations acquire zero energy for a suitable choice of the chemical potential $μ$. This leads to: (i) a jump in the particle density at zero temperature, (ii) a finite zero-temperature entropy, (iii) a ferromagnetic ground state with a charge gap when the flat band is fully occupied and (iv) unusually large temperature variations when $μ$ is varied adiabatically at finite temperature.

cond-mat.str-el↗

arXiv2008

The ALPS project release 1.3: open source software for strongly correlated systems

We present release 1.3 of the ALPS (Algorithms and Libraries for Physics Simulations) project, an international open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models such as quantum magnets, lattice bosons, and strongly correlated fermion systems. Development is centered on common XML and binary data formats, on libraries to simplify and speed up code development, and on full-featured simulation programs. The programs enable non-experts to start carrying out numerical simulations by providing basic implementations of the important algorithms for quantum lattice models: classical and quantum Monte Carlo (QMC) using non-local updates, extended ensemble simulations, exact and full diagonalization (ED), as well as the density matrix renormalization group (DMRG). Changes in the new release include a DMRG program for interacting models, support for translation symmetries in the diagonalization programs, the ability to define custom measurement operators, and support for inhomogeneous systems, such as lattice models with traps. The software is available from our web server at http://alps.comp-phys.org/ .

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