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arXiv:1404.6697 · Physical Review B

Quantum Monte Carlo studies of spinons in one-dimensional spin systems

Ying Tang, Anders W. Sandvik

Published Nov 23, 2015• 24 citations
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Abstract

Observing constituent particles with fractional quantum numbers in confined and deconfined states is an interesting and challenging problem in quantum many-body physics. Here, we further explore a computational scheme [Y. Tang and A. W. Sandvik, Phys. Rev. Lett. 107, 157201 (2011)] based on valence-bond quantum Monte Carlo simulations of quantum spin systems. Using several different one-dimensional models, we characterize $S=\frac{1}{2}$ spinon excitations using the intrinsic spinon size $\ensuremath{\lambda}$ and confinement length $\mathrm{\ensuremath{\Lambda}}$ (the size of a bound state). The spinons have finite size in valence-bond-solid states, infinite size in the critical region (with overlaps characterized by power laws), and become ill defined (completely unlocalizable) in the N\'eel state (which we stabilize in one dimension by introducing long-range interactions). We also verify that pairs of spinons are deconfined in uniform spin chains but become confined upon introducing a pattern of alternating coupling strengths (dimerization) or coupling two chains (forming a ladder). In the dimerized system, an individual spinon can be small when the confinement length is large; this is the case when the imposed dimerization is weak but the ground state of the corresponding uniform chain is a spontaneously formed valence-bond solid (where the spinons are deconfined). Based on our numerical results, we argue that a system with $\ensuremath{\lambda}\ensuremath{\ll}\mathrm{\ensuremath{\Lambda}}$ is associated with weak repulsive short-range spinon-spinon interactions. In principle, both the length scales $\ensuremath{\lambda}$ and $\mathrm{\ensuremath{\Lambda}}$ can still be individually tuned from small to infinite (with $\ensuremath{\lambda}\ensuremath{\le}\mathrm{\ensuremath{\Lambda}}$) by varying model parameters. In contrast, in the ladder system the two lengths are always similar, and this is the case also in the weakly dimerized systems when the corresponding uniform chain is in the critical phase. In these systems, the effective spinon-spinon interactions are purely attractive and there is only a single large length scale close to criticality, which is reflected in the standard spin correlations as well as in the spinon characteristics.

DOI
10.1103/physrevb.92.184425

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Observing constituent particles with fractional quantum numbers in confined and deconfined states is an interesting and challenging problem in quantum many-body physics. Here, we further explore a computational scheme [Y. Tang and A. W. Sandvik, Phys. Rev. Lett. 107, 157201 (2011)] based on valence-bond quantum Monte Carlo simulations of quantum spin systems. Using several different one-dimensional models, we characterize S=12S=\frac{1}{2}S=21​ spinon excitations using the intrinsic spinon size \ensuremathλ\ensuremath{\lambda}\ensuremathλ and confinement length \ensuremathΛ\mathrm{\ensuremath{\Lambda}}\ensuremathΛ (the size of a bound state). The spinons have finite size in valence-bond-solid states, infinite size in the critical region (with overlaps characterized by power laws), and become ill defined (completely unlocalizable) in the N'eel state (which we stabilize in one dimension by introducing long-range interactions). We also verify that pairs of spinons are deconfined in uniform spin chains but become confined upon introducing a pattern of alternating coupling strengths (dimerization) or coupling two chains (forming a ladder). In the dimerized system, an individual spinon can be small when the confinement length is large; this is the case when the imposed dimerization is weak but the ground state of the corresponding uniform chain is a spontaneously formed valence-bond solid (where the spinons are deconfined). Based on our numerical results, we argue that a system with \ensuremathλ\ensuremath≪\ensuremathΛ\ensuremath{\lambda}\ensuremath{\ll}\mathrm{\ensuremath{\Lambda}}\ensuremathλ\ensuremath≪\ensuremathΛ is associated with weak repulsive short-range spinon-spinon interactions. In principle, both the length scales \ensuremathλ\ensuremath{\lambda}\ensuremathλ and \ensuremathΛ\mathrm{\ensuremath{\Lambda}}\ensuremathΛ can still be individually tuned from small to infinite (with \ensuremathλ\ensuremath≤\ensuremathΛ\ensuremath{\lambda}\ensuremath{\le}\mathrm{\ensuremath{\Lambda}}\ensuremathλ\ensuremath≤\ensuremathΛ) by varying model parameters. In contrast, in the ladder system the two lengths are always similar, and this is the case also in the weakly dimerized systems when the corresponding uniform chain is in the critical phase. In these systems, the effective spinon-spinon interactions are purely attractive and there is only a single large length scale close to criticality, which is reflected in the standard spin correlations as well as in the spinon characteristics.
We use Monte Carlo methods to study spinons in two-dimensional quantum spin systems, characterizing their intrinsic size $\ensuremath{\lambda}$ and confinement length $\ensuremath{\Lambda}$. We confirm that spinons are deconfined, $\ensuremath{\Lambda}\ensuremath{\rightarrow}\ensuremath{\infty}$ and $\ensuremath{\lambda}$ finite, in a resonating valence-bond spin-liquid state. In a valence-bond solid, we find finite $\ensuremath{\lambda}$ and $\ensuremath{\Lambda}$, with $\ensuremath{\lambda}$ of a single spinon significantly larger than the bound state---the spinon is soft and shrinks as the bound state is formed. Both $\ensuremath{\lambda}$ and $\ensuremath{\Lambda}$ diverge upon approaching the critical point separating valence-bond solid and N\'eel ground states. We conclude that the spinon deconfinement is marginal in the lowest-energy state in the spin-1 sector, due to weak attractive spinon interactions. Deconfinement in the vicinity of the critical point should occur at higher energies.
Strongly correlated low-dimensional quantum spin models provide a well-established frame- \nwork to study magnetic properties of insulators, and are of great theoretical interest and experimental relevance in condensed-matter physics. In this thesis, I use quantum Monte Carlo methods to numerically study quantum critical behavior in low-dimensional quantum spin models and wavefunctions. \n \nFirst, I study spinons &ndash emergent spin-1/2 bosonic excitations &ndash at certain one- and two-dimensional quantum phase transitions (QPTs) in spin models, by characterizing their size and confinement length quantitatively. In particular, I focus on the QPT from an antiferromagnetic (AFM) phase into a valence-bond solid (VBS) phase, which is an example of a violation of the standard Landau-Ginzburg-Wilson paradigm for phase transitions. This transition in two dimensions (2D) is instead likely described by a novel theory called "deconfined quantum criticality" (DQC). According to the theory, spinons should be deconfined. The degree of deconfinement is quantified in my calculations. \n \nSecond, I present a comprehensive study of so-called short-bond resonating-valence-bond (RVB) spin liquids in 2D, which have been suggested as a good starting point for understanding the spin physics of high-temperature cuprates. I find that these RVB states can also be classified as quantum-critical VBS states, which indicates that RVB is less disordered than expected. This work suggests a possible mapping from the quantum RVB states to classical dimer models via a classical continuum field theory--the height model. This map explicitly bridges well-established classical results to future quantum studies. \n \nThird, I consider 1D amplitude product (AP) states, which are generalized versions of RVB states, with different wavefunction weightings of bonds according to their lengths. AP states constitute a good ansatz for certain Hamiltonians and are of broad interest in quantum magnetism. I study phase transitions from AFM-VBS phases in AP states by tuning their amplitudes, and obtain continuously varying critical exponents. In addition, I classify the 1D AP states through entanglement entropy calculations of the central charge in (1+1)D conformal field theory. This new classification could serve as guide for AP states as trial wavefunctions to search for ground states of corresponding quantum spin models.
We develop a technique to directly study spinons (emergent spin S=1/2 particles) in quantum spin models in any number of dimensions. The size of a spinon wave packet and of a bound pair (a triplon) are defined in terms of wave-function overlaps that can be evaluated by quantum Monte Carlo simulations. We show that the same information is contained in the spin-spin correlation function as well. We illustrate the method in one dimension. We confirm that spinons are well-defined particles (have exponentially localized wave packet) in a valence-bond-solid state, are marginally defined (with power-law shaped wave packet) in the standard Heisenberg critical state, and are not well defined in an ordered Néel state (achieved in one dimension using long-range interactions).
The set of valence-bond states --- states in which localized spin-1/2 particles are correlated in singlet pairs said to be connected by valence bonds --- provides a useful basis for visualizing singlet ground states of quantum spin systems. For example, the ground state of the uniform one-dimensional nearest-neighbor spin-1/2 antiferromagnetic (AFM) Heisenberg model (the prototypical spin-liquid state) can be viewed as a strongly fluctuating liquid of valence bonds with a power-law length distribution. This intuitive picture directly reflects the long-range spin correlations in this state, as well as the existence of gapless excitations created by breaking long bonds. Valence-bond states also play a key role in describing the physics of random spin-1/2 AFM Heisenberg chains. For these systems, it was shown by Fisher, using a real space renormalization group analysis, that on long-length scales the ground state is described by a single valence-bond state known as a random singlet state. This single valence-bond state should be viewed as a caricature of the true ground state, which will certainly exhibit bond fluctuations on short-length scales. In valence-bond Monte Carlo (VBMC) simulations valence-bond states are used to stochastically sample singlet ground states of quantum spin systems. One of the appealing features of VBMC is that if one imagines viewing the sampled valence-bond states over many Monte Carlo time steps the resulting ''movie" would correspond closely to the intuitive resonating valence bond picture described above. For random Heisenberg chains (and related models) VBMC should therefore provide a useful method for directly studying the phenomenon of random singlet formation on long-length scales, while at the same time capturing the short-range fluctuations which will always be present. In this dissertation I present results of VBMC studies for a class of models which include the uniform and random spin-1/2 AFM Heisenberg chains, as well as models describing chains of interacting non-Abelian quasiparticles --- exotic quasiparticles conjectured to exist in certain fractional quantum Hall states. In addition to numerically computing and analyzing the so-called valence-bond entanglement scaling in these models, I introduce a new quantity which I refer to as the valence-bond fluctuation (the central new result and the main contribution of this dissertation). It is shown that this quantity, which is easy to compute in valence-bond Monte Carlo, provides a direct signature of random singlet phase formation by essentially allowing one to directly ''see" the ''locking" of the ground state into a particular valence-bond state on long-length scales. A detailed scaling analysis of this new quantity is then used to extract the dependence of the fluctuation length scale on disorder strength. Where possible, the results are compared to previous numerical and analytic work on the relevant models.
Using large-scale determinant quantum Monte Carlo simulations in combination with the stochastic analytical continuation, we study two-particle dynamical correlation functions in the anisotropic square lattice of weakly coupled one-dimensional (1D) Hubbard chains at half filling and in the presence of weak frustration. The evolution of the static spin structure factor upon increasing the interchain coupling is suggestive of the transition from the power-law decay of spin-spin correlations in the 1D limit to long-range antiferromagnetic order in the quasi-1D regime and at T=0T=0T=0. In the numerically accessible regime of interchain couplings, the charge sector remains gapped. The low-energy momentum dependence of the spin excitations is well described by the linear spin-wave theory with the largest intensity located around the antiferromagnetic wave vector. This magnon mode corresponds to a bound state of two spinons. At higher energies the spinons deconfine and we observe signatures of the two-spinon continuum which progressively fade away as a function of interchain hopping.
In magnets with strong quantum fluctuations, paramagnetic ground states with or without confinement of spinon excitations can be realized. Here we discuss the physics of the confined phase in the vicinity of a confinement-deconfinement transition: this regime, likely relevant to a multitude of frustrated spin systems, is characterized by multiple length scales. In addition to the magnetic correlation length, a confinement length can be defined, which can be probed, e.g., by local static measurements near nonmagnetic impurities. We illustrate the ideas by explicit calculations for dimerized spin chains, but our qualitative results remain valid in higher dimensions as well. In particular, we study crossover from weak to strong confinement visible in the antiferromagnetic polarization cloud around a nonmagnetic impurity. We also discuss the effective magnetic interaction between impurities, relevant for impurity-induced magnetic order, and consequences for nuclear magnetic resonance and neutron-scattering experiments.