In this manuscript we review recent developments in the numerical simulations of bipartite SU( N ) spin models by quantum Monte Carlo (QMC) methods. We provide an account of a large family of newly discovered sign-problem free spin models which can be simulated in their ground states on large lattices, containing O (10 5 ) spins, using the stochastic series expansion method with efficient loop algorithms. One of the most important applications so far of these Hamiltonians are to unbiased studies of quantum criticality between Neel and valence bond phases in two dimensions - a summary of this body of work is provided. The article concludes with an overview of the current status of and outlook for future studies of the "designer" Hamiltonians.
In this manuscript we review recent developments in the numerical simulations of bipartite SU( N ) spin models by quantum Monte Carlo (QMC) methods. We provide an account of a large family of newly discovered sign-problem free spin models which can be simulated in their ground states on large lattices, containing O (10 5 ) spins, using the stochastic series expansion method with efficient loop algorithms. One of the most important applications so far of these Hamiltonians are to unbiased studies of quantum criticality between Neel and valence bond phases in two dimensions - a summary of this body of work is provided. The article concludes with an overview of the current status of and outlook for future studies of the "designer" Hamiltonians.
We discuss designer Hamiltonians—lattice models tailored to be free from sign problems (“de-signed”) when simulated with quantum Monte Carlo (QMC) methods but which still host complex many-body states and quantum phase transitions of interest in condensed matter physics. We focus on quantum spin systems in which competing interactions lead to nonmagnetic ground states. These states and the associated quantum phase transitions can be studied in great detail, enabling direct access to universal properties and connections with low-energy effective quantum field theories. As specific examples, we discuss the transition from a Néel antiferromagnet to either a uniform quantum paramagnet or a spontaneously symmetry-broken valence-bond solid (VBS) in SU(2) and SU(N) invariant spin models. We also discuss anisotropic (XXZ) systems harboring topological Z2 spin liquids and the XY* transition. We briefly review recent progress on QMC algorithms, including ground-state projection in the valence-bond basis and direct computation of the Renyi variants of the entanglement entropy.
I will give an overview of unbiased numerical work on the Neelvalence bond solid (VBS) phase transition in d = 2 antiferromagnets. This progress has been possible due to the discovery of a new class of Hamiltonians of SU(N) spins that are free of the sign problem of quantum Monte Carlo. I will show through extensive numerical studies of the quantum phase transition on a variety of bipartite systems: square, rectangular, honeycomb and square bilayer, for a number of values of N (2 ≤ N ≤ 10), that a close to complete picture of an unusual “deconfined critical point” has emerged. Significantly, no direct evidence for first order behavior has been found on the largest simulations with 256 × 256 spins, the crucial role of Berry phases at the critical point has been verified, strong evidence for non-compact CPN−1 universality is evident for a range of N values, the inferred “dangerous” (ir)relevance of lattice anisotropy at the critical point is consistent with various limiting analytic calculations on the CPN−1 field theory and close to the critical point dramatic signatures of the emergent photon excitation have been detected in VBS correlation functions. I will conclude with some open theoretical issues that remain to be resolved and possible experimental realizations.
Reliable simulations of correlated quantum systems, including high-temperature superconductors and frustrated magnets, are increasingly desired nowadays to further our understanding of essential features in such systems. Quantum Monte Carlo (QMC) is a unique numerically exact and intrinsically unbiased method to simulate interacting quantum many-body systems. More importantly, when QMC simulations are free from the notorious fermion sign problem, they can reliably simulate interacting quantum models with large system size and low temperature to reveal low-energy physics such as spontaneously broken symmetries and universal quantum critical behaviors. Here, we concisely review recent progress made in developing new sign-problem-free QMC algorithms, including those employing Majorana representation and those utilizing hot-spot physics. We also discuss applications of these novel sign-problem-free QMC algorithms in simulations of various interesting quantum many-body models. Finally, we discuss possible future directions of designing sign-problem-free QMC methods.
We consider bipartite SU(N) spin Hamiltonians with a fundamental representation on one sublattice and a conjugate to fundamental on the other sublattice. By mapping these antiferromagnets to certain classical loop models in one higher dimension, we provide a practical strategy to write down a large family of SU(N) symmetric spin Hamiltonians that satisfy Marshall's sign condition. This family includes all previously known sign-free SU(N) spin models in this representation and in addition provides a large set of new models that are Marshall positive and can hence be studied efficiently with quantum Monte Carlo methods. As an application of our idea to the square lattice, we show that in addition to Sandvik's Q term, there is an independent nontrivial four-spin R term that is sign free. Using numerical simulations, we show how the R term provides a new route to the study of quantum criticality of N\'eel order.
This work focuses on numerical studies of quantum spin systems. These simple models are known to exhibit a variety of phases, some of which have no classical counterpart. Phase transitions between them are driven by quantum fluctuations and the unconventional nature of some such transitions make them a fascinating avenue of study. Quantum Monte Carlo (QMC) is an indispensable tool in the study of these phases and phase transitions in two and higher dimensions. Nevertheless, we are limited by our inability to simulate models that suffer from the infamous sign problem. While the case of S=1/2 has been studied extensively due to availability of sign problem free models, not much progress has been made for higher S. In a first part of this dissertation, a systematic procedure to write down a large family of ``designer hamiltonians'', i.e. models constructed to be free from the sign problem (``de-signed''), for arbitrary spin-S is given. Three applications of this procedure are also presented. As a first application, a S=1 interaction is constructed on the square lattice realizing a novel ``Haldane Nematic (HN)'' phase that breaks the lattice rotational symmetry while preserving lattice translational symmetry and spin rotational symmetry. By supplementing our model with a two-spin Heisenberg interaction, a study of the transition between the antiferromagnetic and HN phase is presented, which we find to be of first order. In a second application, the antiferromagnetic to four-fold columnar valence bond solid (cVBS) phase transition in a sign free S=1 square lattice model is studied. Our simulations provide unambiguous evidence for a direct conventional first-order quantum phase transition demonstrating a sharp contrast with the S=1/2 case, where this transition is a prototypical example of an unconventional continuous transition. In our third application, all possible sign-free two-site spin-S interactions are constructed and the phases that are realized by these new nearest neighbour models are investigated on the square lattice. In a second part, the superfluid-VBS quantum phase transition is studied in a spin model in presence of easy plane anisotropy, i.e. spins preferentially align in a plane. The model studied is an interpolation of two models: (a) a rotationally symmetric model that appears to host a continuous transition even on the biggest lattices studied (b) the other is an easy plane version of the aforementioned model that clearly shows a first order transition even on relatively small lattices. In our simulations, the nature of the transition was found to be first order in the presence of an easy plane anisotropy, indicating the superfluid-VBS transition in the two-component easy plane model is generically discontinuous. In a third part, we study the SU(N) generalization of the Heisenberg antiferromagnet on the BCC lattice. Our numerical studies of the model show that magnetic order present for N=2 is destroyed for N>15 and valence bond solid order is observed for N>16. The nature of the phase at N=16 and the nature of the phase transition between different phases is investigated.
We present a detailed study of the destruction of SU(N) magnetic order in square lattice bilayer antiferromagnets using unbiased quantum Monte Carlo numerical simulations and field theoretic techniques. We study phase transitions from an SU(N) N\'eel state into two distinct quantum disordered ``valence-bond'' phases: a valence-bond liquid (VBL) with no broken symmetries and a lattice-symmetry-breaking valence-bond solid (VBS) state. For finite interlayer coupling, the cancellation of Berry phases between the layers has dramatic consequences on the two phase transitions: the N\'eel-VBS transition is first order for all $N\ensuremath{\ge}5$ accesible in our model, whereas the N\'eel-VBL transition is continuous for N=2 and first order for $N\ensuremath{\ge}4$; for N=3 the N\'eel-VBL transition show no signs of first-order behavior.