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arXiv:2210.09368 · Physical review. B./Physical review. B

Thermal critical points from competing singlet formations in fully frustrated bilayer antiferromagnets

Lukas Weber, Antoine Yves Dimitri Fache, Frédéric Mila, Stefan Weßel

Published Dec 15, 2022• 6 citations
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Abstract

We examine the ground-state phase diagram and thermal phase transitions in a plaquettized fully frustrated bilayer spin-1/2 Heisenberg model. Based on a combined analysis from sign-problem free quantum Monte Carlo simulations, perturbation theory, and free-energy arguments, we identify a first-order quantum phase transition line that separates two competing quantum-disordered ground states with dominant singlet formations on interlayer dimers and plaquettes, respectively. At finite temperatures, this line extends to form a wall of first-order thermal transitions, which terminates in a line of thermal critical points. From a perturbative approach in terms of an effective Ising model description, we identify a quadratic suppression of the critical temperature scale in the strongly plaquettized region. Based on free-energy arguments we furthermore obtain the full phase boundary of the low-temperature dimer-singlet regime, which agrees well with the quantum Monte Carlo data.

DOI
10.1103/physrevb.106.235128

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We examine the ground-state phase diagram and thermal phase transitions in a plaquettized fully frustrated bilayer spin-1/2 Heisenberg model. Based on a combined analysis from sign-problem free quantum Monte Carlo simulations, perturbation theory, and free-energy arguments, we identify a first-order quantum phase transition line that separates two competing quantum-disordered ground states with dominant singlet formations on interlayer dimers and plaquettes, respectively. At finite temperatures, this line extends to form a wall of first-order thermal transitions, which terminates in a line of thermal critical points. From a perturbative approach in terms of an effective Ising model description, we identify a quadratic suppression of the critical temperature scale in the strongly plaquettized region. Based on free-energy arguments we furthermore obtain the full phase boundary of the low-temperature dimer-singlet regime, which agrees well with the quantum Monte Carlo data.
We consider the finite-temperature phase diagram of the S=1/2 frustrated Heisenberg bilayer. Although this two-dimensional system may show magnetic order only at zero temperature, we demonstrate the presence of a line of finite-temperature critical points related to the line of first-order transitions between the dimer-singlet and -triplet regimes. We show by high-precision quantum Monte Carlo simulations, which are sign-free in the fully frustrated limit, that this critical point is in the Ising universality class. At zero temperature, the continuous transition between the ordered bilayer and the dimer-singlet state terminates on the first-order line, giving a quantum critical end point, and we use tensor-network calculations to follow the first-order discontinuities in its vicinity.
The phase diagrams of highly frustrated quantum spin systems can exhibit first-order quantum phase transitions and thermal critical points even in the absence of any long-ranged magnetic order. However, all unbiased numerical techniques for investigating frustrated quantum magnets face significant challenges, and for generic quantum Monte Carlo methods the challenge is the sign problem. Here we report on a general quantum Monte Carlo approach with a loop-update scheme that operates in any basis, and we show that, with an appropriate choice of basis, it allows us to study a frustrated model of coupled spin-1/2 trimers: simulations of the trilayer Heisenberg antiferromagnet in the spin-trimer basis are sign-problem-free when the intertrimer couplings are fully frustrated. This model features a first-order quantum phase transition, from which a line of first-order transitions emerges at finite temperatures and terminates in a thermal critical point. The trimer unit cell hosts an internal degree of freedom that can be controlled to induce an extensive entropy jump at the quantum transition, which alters the shape of the first-order line. We explore the consequences for the thermal properties in the vicinity of the critical point, which include profound changes in the lines of maxima defined by the specific heat. Our findings reveal trimer quantum magnets as fundamental systems capturing in full the complex thermal physics of the strongly frustrated regime.
Using a combination of unbiased quantum Monte Carlo simulations and a decoupled dimer mean-field theory, we investigate the thermal and quantum phase transitions of the spin-1/2 Heisenberg model on the dimerized diamond lattice. We find that at sufficiently strong dimerization the system exhibits a quantum disordered ground state, in contrast to the antiferromagnetic phase stabilized at weak dimerization. We determine the quantum critical point and examine the thermodynamic responses in both regimes. The ratio for the critical interdimer (JcJ_cJc​) to intradimer (JDJ_DJD​) coupling is obtained as Jc/JD=0.3615(5)J_c/J_D = 0.3615(5)Jc​/JD​=0.3615(5). Our results show that the decoupled dimer mean-field theory well captures the competition between the local singlet formation and the antiferromagnetic ordering tendency, and thus provides an appropriate qualitative description of this three-dimensional quantum magnet, in contrast to the conventional mean-field decoupling. We also examine the differences in the ordering temperatures between the antiferromagnetic and the ferromagnetic spin-1/2 Heisenberg model on the diamond lattice based on quantum Monte Carlo simulations.
Using a combination of unbiased quantum Monte Carlo simulations and a decoupled dimer mean-field theory, we investigate the thermal and quantum phase transitions of the spin- 1 2 Heisenberg model on the dimerized diamond lattice. We find that at sufficiently strong dimerization the system exhibits a quantum disordered ground state, in contrast to the antiferromagnetic phase stabilized at weak dimerization. We determine the quantum critical point and examine the thermodynamic responses in both regimes. The ratio for the critical interdimer ( J c ) to intradimer ( J D ) coupling is obtained as J c / J D = 0.3615 ( 5 ) . Our results show that the decoupled dimer mean-field theory well captures the competition between the local singlet formation and the antiferromagnetic ordering tendency, and thus provides an appropriate qualitative description of this three-dimensional quantum magnet, in contrast to the conventional mean-field decoupling. We also examine the differences in the ordering temperatures between the antiferromagnetic and the ferromagnetic spin- 1 2 Heisenberg model on the diamond lattice based on quantum Monte Carlo simulations.
Abstract Phase transitions in condensed matter are a source of exotic emergent properties. We study the fully frustrated bilayer Heisenberg antiferromagnet to demonstrate that an applied magnetic field creates a previously unknown emergent criticality. The quantum phase diagram contains four states with distinctly different symmetries, all but one pair separated by first-order transitions. We show by quantum Monte Carlo simulations that the thermal phase diagram is dominated by a wall of discontinuities extending between the dimer-triplet phases and the singlet-containing phases. This wall is terminated at finite temperatures by a critical line, which becomes multicritical where the Berezinskii-Kosterlitz-Thouless (BKT) transition of the dimer-triplet antiferromagnet and the thermal Ising transition of the singlet-triplet crystal phase also terminate. The combination of merging symmetries leads to a 4-state Potts universality not contained in the microscopic Hamiltonian, which we interpret within the Ashkin-Teller model. Our results represent a systematic step in understanding emergent phenomena in quantum magnetic materials, including the “Shastry-Sutherland compound” SrCu2(BO3)2.
Low-temperature magnetization curves and thermodynamics of a frustrated spin-12\frac{1}{2}21​ Heisenberg triangular bilayer with the antiferromagnetic intradimer interaction and either ferromagnetic or antiferromagnetic interdimer interaction are investigated in a highly frustrated parameter region, where localized many-magnon eigenstates provide the most dominant contribution to magnetothermodynamics. Low-energy states of the highly frustrated spin-12\frac{1}{2}21​ Heisenberg triangular bilayer can be accordingly found from a mapping correspondence with an effective triangular-lattice spin-12\frac{1}{2}21​ Ising model in a field. A description based on the effective Ising model implies that the frustrated Heisenberg triangular bilayer with the ferromagnetic interdimer coupling displays in a zero-temperature magnetization curve discontinuous magnetization jump, which is reduced upon increasing of temperature until a continuous field-driven phase transition from the Ising universality class is reached at a certain critical temperature. The frustrated Heisenberg triangular bilayer with the antiferromagnetic interdimer coupling contrarily exhibits multistep magnetization curve with intermediate plateaus at 13\frac{1}{3}31​ and 23\frac{2}{3}32​ of the saturation magnetization, whereas discontinuous magnetization jumps observable at zero temperature change to continuous field-driven phase transitions from the universality class of three-state Potts model at sufficiently low temperatures. Exact results and Monte Carlo simulations of the effective Ising model are confronted with full exact diagonalization data for the Heisenberg triangular bilayer in order to corroborate these findings.