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arXiv:2103.15287 · Physical review. B./Physical review. B

Order by disorder in frustration-free systems: Quantum Monte Carlo study of a two-dimensional PXP model

Mingxi Yue, Zijian Wang, Bhaskar Mukherjee, Zi Cai

Published May 18, 2021• 9 citations
arXivHTMLPDF

Abstract

In this study, an order-by-disorder mechanism has been proposed in a two-dimensional PXP model, where the extensive degeneracy of the classical ground-state manifold is due to strict occupation constraints instead of geometrical frustrations. By performing an unbias large-scale quantum Monte Carlo simulation, we find that local quantum fluctuations, which usually work against long-range ordering, lift the macroscopic classical degeneracy and give rise to a compressible ground state with charge-density-wave long-range order. A simple trial wave function has been proposed to capture the essence of the ground-state of the two-dimensional PXP model. The finite-temperature properties of this model have also been studied, and we find a thermal phase transition with a universality class of a two-dimensional Ising model.

DOI
10.1103/physrevb.103.l201113

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In this study, an order-by-disorder mechanism has been proposed in a two-dimensional PXP model, where the extensive degeneracy of the classical ground-state manifold is due to strict occupation constraints instead of geometrical frustrations. By performing an unbias large-scale quantum Monte Carlo simulation, we find that local quantum fluctuations, which usually work against long-range ordering, lift the macroscopic classical degeneracy and give rise to a compressible ground state with charge-density-wave long-range order. A simple trial wave function has been proposed to capture the essence of the ground-state of the two-dimensional PXP model. The finite-temperature properties of this model have also been studied, and we find a thermal phase transition with a universality class of a two-dimensional Ising model.
In this work we investigate themes related to many-body systems in which multiple ground states are accessible, a condition known as frustration. Frustration can arise in a number of contexts, and we consider the consequences of this situation with some examples from condensed-matter physics. In some magnetic materials interactions between spins are such that no single spin configuration provides a unique ground state. In the class of frustrated magnets where the number of ground states is extensive, thermal fluctuations are strong even at temperatures significantly below the interaction strength. At such temperatures spins are highly correlated, and small perturbations may have profound consequences. In this thesis we provide an example of this. By considering classical n-component spins with nearest-neigbour exchange on a frustrated octahedral lattice we show that – in the limit where exchange interactions are large – the system is in a disordered, correlated phase where correlations have the form of a dipole field. This is termed a Coulomb phase. From this phase we induce an ordering transition, lifting the degeneracy with weak, additional short-range interactions. By studying the transition in the solvable limit of n → ∞, we discover that the transition has identical thermodynamics to that of a magnetic system interacting through long-range, dipolar forces. Finally, we provide a more apposite characterisation of the transition, where the high-temperature side of the transition is described through the fluctuations of solenoidal fields, and the ordering corresponds to a condensation of these fields. In a separate part of the thesis, we investigate the influence of disorder on frustrated lattices. We study a two-dimensional tight-binding model with nearest-neighbour hopping and on-site disorder. Restricting the allowed states to being those from the low-lying manifold of ground states, the disorder feeds through to act as effective disorder in the hopping terms, which decay algebraically with distance. The quasi-long range nature of this effective hopping leads to a situation in which the resultant single-particle eigenstates are critical, and we probe their behaviour numerically with a transfer matrix calculation.
In selected lattice systems, it is impossible to satisfy all the antiferromagnetic interactions between the spins simultaneously. Due to this frustration the degeneracy of the ground state becomes very large, often scaling with the size of the system. An antiferromagnetic model of Ising spins with on the three-dimensional Swedenborgite lattice will similarly be frustrated and will behave like a spin liquid in all parameter regimes. \n\nFluctuations, which may be either thermal or quantum-mechanical in nature, between the states in the large (disordered) ground state manifold may be biased towards one of them. This causes the system to select a unique (ordered) ground state, in an effect called order-by-disorder. Our objective is now to investigate the effects of quantum fluctuations on the ground states of the Swedenborgite Ising model and to examine it for potential order-by-disorder effects. This will ultimately result in the construction of a tentative phase diagram of this system.
In this work the ordering processes in classical frustrated Ising models and the ground-state behavior of frustrated quantum spin models are investigated. In the first part the phase transition from a high-temperature paramagnetic phase to a antiferromagnetic ground state is analyzed for the square-lattice Ising model with competing antiferromagnetic interactions between nearest- and next-nearest-neighbor spins. In the case of spatially isotropic interactions the phase transition to a collinear state is of special interest. Using Monte-Carlo simulations on finite lattices as well as field-theoretical methods for the continuous model it is shown that depending on the frustration three different sectors can be distinguished that show (i) Ising-universal behavior (ii) Ashkin-Teller-like non-universal behavior (varying critical exponents) and (iii) non-critical first-order behavior. For spatially anisotropic interactions the emergence of an intermediate incommensurate phase is verified by means of Monte-Carlo simulations which has been predicted by earlier mean-field calculations. The nature of this phase is studied analyzing spin-spin correlation functions and its ordering wave-vector reveals a strong temperature and size dependence. In the second part the influence of quantum fluctuations on classical antiferromagnetic ground states are investigated in anisotropic quantum spin-1/2 Heisenberg models with competing interactions. Using quantum Monte-Carlo simulations, exact diagonalization and perturbation theory the ground-state phase diagrams are calculated for a square lattice with nearest- and next-nearest-neighbor interactions and a honeycomb lattice with up to third-nearest-neighbor interactions whereby the fluctuations are chosen to be non-frustrating. For both cases the stability regions of classical magnetic states are identified and an intermediate phase is detected that shows no sign of long-range magnetic order. Further calculations also rule out valence-bond-crystal or topological order for this state, thus a quantum disordered ground state is stabilized in these models.
We report on a systematic study of two-dimensional, periodic, frustrated Ising models with quantum dynamics introduced via a transverse magnetic field. The systems studied are the triangular and kagom\'e lattice antiferromagnets, fully frustrated models on the square and hexagonal (honeycomb) lattices, a planar analog of the pyrochlore antiferromagnet, a pentagonal lattice antiferromagnet, as well as two quasi-one-dimensional lattices that have considerable pedagogical value. All of these exhibit a macroscopic degeneracy at T=0T=0T=0 in the absence of the transverse field, which enters as a singular perturbation. We analyze these systems with a combination of a variational method at weak fields, a perturbative Landau-Ginzburg-Wilson approach from large fields, as well as quantum Monte Carlo simulations utilizing a cluster algorithm. Our results include instances of quantum order arising from classical criticality (triangular lattice) or classical disorder (pentagonal and probably hexagonal) as well as notable instances of quantum disorder arising from classical disorder (kagom\'e). We also discuss the effect of finite temperature, as well as the interplay between longitudinal and transverse fields---in the kagom\'e problem the latter gives rise to a nontrivial phase diagram with bond-ordered and bond-critical phases in addition to the disordered phase. We also note connections to quantum-dimer models and thereby to the physics of Heisenberg antiferromagnets in short-ranged resonating valence-bond phases that have been invoked in discussions of high-temperature superconductivity.
The scaling of the transition temperature into an ordered phase close to a quantum critical point as well as the order parameter fluctuations inside the quantum critical region provide valuable information about universal properties of the underlying quantum critical point. Here, we employ quantum Monte Carlo simulations to examine these relations in detail for two-dimensional quantum systems that exhibit a finite-temperature Ising-transition line in the vicinity of a quantum critical point that belongs to the universality class of either (i) the three-dimensional Ising model for the case of the quantum Ising model in a transverse magnetic field on the square lattice or (ii) the chiral Ising transition for the case of a half-filled system of spinless fermions on the honeycomb lattice with nearest-neighbor repulsion. While the first case allows large-scale simulations to assess the scaling predictions to a high precision in terms of the known values for the critical exponents at the quantum critical point, for the later case, we extract values of the critical exponents $\ensuremath{\nu}$ and $\ensuremath{\eta}$, related to the order parameter fluctuations, which we discuss in relation to other recent estimates from ground-state quantum Monte Carlo calculations as well as analytical approaches.
We study the two-dimensional XY\mathrm{XY}XY model with quenched random phases by Monte Carlo simulation and finite-size scaling analysis. We determine the phase diagram of the model and study its critical behavior as a function of disorder and temperature. If the strength of the randomness is less than a critical value, ${\ensuremath{\sigma}}_{c},$ the system has a Kosterlitz-Thouless (KT) phase transition from the paramagnetic phase to a state with quasi-long-range order. Our data suggest that the latter exists down to T=0T=0T=0 in contradiction with theories that predict the appearance of a low-temperature reentrant phase. At the critical disorder ${T}_{\mathrm{KT}}\ensuremath{\rightarrow}0$ and for $\ensuremath{\sigma}>{\ensuremath{\sigma}}_{c}$ there is no quasiordered phase. At zero temperature there is a phase transition between two different glassy states at ${\ensuremath{\sigma}}_{c}.$ The functional dependence of the correlation length on $\ensuremath{\sigma}$ suggests that this transition corresponds to the disorder-driven unbinding of vortex pairs.