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.
Abstract At the familiar liquid-gas phase transition in water, the density jumps discontinuously at atmospheric pressure, but the line of these first-order transitions defined by increasing pressures terminates at the critical point [1], a concept ubiquitous in statistical thermodynamics [2]. In correlated quantum materials, a critical point was predicted [3] and measured [4, 5] terminating the line of Mott metal-insulator transitions, which are also first-order with a discontinuous charge density. In quantum spin systems, continuous quantum phase transitions (QPTs) [6] have been investigated extensively [7-11], but discontinuous QPTs have received less attention. The frustrated quantum antiferromagnet SrCu2(BO3)2 constitutes a near-exact realization of the paradigmatic Shastry-Sutherland model [12-14] and displays exotic phenomena including magnetization plateaux [15], anomalous thermodynamics [16] and discontinuous QPTs [17]. We demonstrate by high-precision specific-heat measurements under pressure and applied magnetic field that, like water, the pressure-temperature phase diagram of SrCu2(BO3)2 has an Ising critical point terminating a first-order transition line, which separates phases with different densities of magnetic particles (triplets). We achieve a quantitative explanation of our data by detailed numerical calculations using newly-developed finite temperature tensor-network methods [16, 18-20]. These results open a new dimension in understanding the thermodynamics of quantum magnetic materials, where the anisotropic spin interactions producing topological properties [21, 22] for spintronic applications drive an increasing focus on first-order QPTs.
Recent experiments [Guo et al., Phys. Rev. Lett. 124 206602 (2020)] on thermodynamic properties of the frustrated layered quantum magnet SrCu2(BO3)2 — the Shastry–Sutherland material — have provided strong evidence for a low-temperature phase transition between plaquette-singlet and antiferromagnetic order as a function of pressure. Further motivated by the recently discovered unusual first-order quantum phase transition with an apparent emergent O(4) symmetry of the antiferromagnetic and plaquette-singlet order parameters in a two-dimensional “checkerboard J-Q” quantum spin model [Zhao et al., Nat. Phys. 15 678 (2019)], we here study the same model in the presence of weak inter-layer couplings. Our focus is on the evolution of the emergent symmetry as the system crosses over from two to three dimensions and the phase transition extends from strictly zero temperature in two dimensions up to finite temperature as expected in SrCu2(BO3)2. Using quantum Monte Carlo simulations, we map out the phase boundaries of the plaquette-singlet and antiferromagnetic phases, with particular focus on the triple point where these two ordered phases meet the paramagnetic phase for given strength of the inter-layer coupling. All transitions are first-order in the neighborhood of the triple point. We show that the emergent O(4) symmetry of the coexistence state breaks down clearly when the interlayer coupling becomes sufficiently large, but for a weak coupling, of the magnitude expected experimentally, the enlarged symmetry can still be observed at the triple point up to significant length scales. Thus, it is likely that the plaquette-singlet to antiferromagnetic transition in SrCu2(BO3)2 exhibits remnants of emergent O(4) symmetry, which should be observable due to additional weakly gapped Goldstone modes.
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.
We report the discovery of a multicritical point that extends the liquid-gas paradigm to systems with competing symmetry-breaking orders. Using large-scale Monte Carlo simulations of a frustrated bilayer Ising antiferromagnet with tunable couplings, we map out a rich finite-temperature phase diagram hosting three ordered phases separated by both continuous and first-order transitions. By tuning the couplings, a tricritical line and a critical end-point line converge into a single multicritical line. At all points along the multicritical line, symmetry-distinct phases exhibit identical leading critical behavior---consistent with the tricritical Ising universality class---while the subleading exponent exhibits a sharp shift from
yg=0.8 to
yg=1. This shift reflects an emergent
Z2 symmetry akin to that of the liquid-gas critical point, but realized here at a genuine multicritical point involving simultaneous microscopic symmetry breaking. Our results establish a universality scenario in which emergent symmetry preserves the leading class but reorganizes subleading scaling, providing a general mechanism for symmetry-enforced multicriticality.
We consider the thermal phase transition from a paramagnetic to a stripe-antiferromagnetic phase in the frustrated two-dimensional square-lattice Ising model with competing interactions
J1<0 (nearest neighbor, ferromagnetic) and
J2>0 (second neighbor, antiferromagnetic). The striped phase breaks a
Z4 symmetry and is stabilized at low temperatures for
g=J2/∣J1∣>1/2. Despite the simplicity of the model, it has proved difficult to precisely determine the order and the universality class of the phase transitions. This was done convincingly only recently by Jin et al. [Phys. Rev. Lett. 108, 045702 (2012)]. Here, we further elucidate the nature of these transitions and their anomalies by employing a combination of cluster mean-field theory, Monte Carlo simulations, and transfer-matrix calculations. The
J1-
J2 model has a line of very weak first-order phase transitions in the whole region
1/2<g<g∗, where ${g}^{*}=0.67\ifmmode\pm\else\textpm\fi{}0.01$. Thereafter, the transitions from
g=g∗ to $g\ensuremath{\rightarrow}\ensuremath{\infty}$ are continuous and can be fully mapped, using universality arguments, to the critical line of the well-known Ashkin-Teller model from its four-state Potts point to the decoupled Ising limit. We also comment on the pseudo-first-order behavior at the Potts point and its neighborhood in the Ashkin-Teller model on finite lattices, which in turn leads to the appearance of similar effects in the vicinity of the multicritical point
g∗ in the
J1-
J2 model. The continuous transitions near
g∗ can therefore be mistaken for first-order transitions, and this realization was the key to understanding the paramagnetic-striped transition for the full range of
g>1/2. Most of our conclusions are based on Monte Carlo calculations, while the cluster mean-field and transfer-matrix results provide useful methodological benchmarks for weakly first-order behaviors and Ashkin-Teller criticality.