Quantum Rotor Model Research Articles

Exploring tunneling ESEEM beyond methyl groups in nitroxides at low temperatures.

Tunneling of methyl rotors coupled to an electron spin causes magnetic field independent electron spin echo envelope modulation (ESEEM) at low temperatures. For nitroxides containing alkyl substituents, we observe this effect as a contribution at the beginning of the Hahn echo decay signal occurring on a faster time scale than the matrix-induced decoherence. The tunneling ESEEM contribution includes information on the local environment of the methyl rotors, which manifests as a distribution of rotation barriers P(V3) when measuring the paramagnetic species in a glassy matrix. Here, we investigate the differences in tunneling behaviour of geminal methyl and ethyl group rotors in nitroxides while exploring different levels of theory in our previously introduced methyl quantum rotor (MQR) model. Moreover, we extend the MQR model to analyze the tunneling ESEEM originating from two different rotor types coupled to the same electron spin. We find that ethyl groups in nitroxides give rise to stronger tunneling ESEEM contributions than methyl groups because the difference between hyperfine couplings of their methyl protons better matches the tunneling frequency. The methyl rotors of both ethyl and propyl groups exhibit distributions at lower rotation barriers compared to geminal methyl groups. This is in good agreement with density functional theory (DFT) calculations of their rotation barriers and showcases that conformational flexibility impacts the hindrance of rotation. Using Monte-Carlo based fitting in combination with an identifiability analysis of the MQR model parameter space, we extract rotation barrier distributions for the individual rotor types in mixed-rotor nitroxides as well as identify which rotors dominate the observed tunneling contribution in the Hahn echo decay signal.

Nonadiabatic Laser-Induced Alignment Dynamics of Molecules on a Surface.

We demonstrate that a sodium dimer, Na_{2}(1^{3}Σ_{u}^{+}), residing on the surface of a helium nanodroplet, can be set into rotation by a nonresonant 1.0ps infrared laser pulse. The time-dependent degree of alignment measured, exhibits a periodic, gradually decreasing structure that deviates qualitatively from that expected for gas-phase dimers. Comparison to alignment dynamics calculated from the time-dependent rotational Schrödinger equation shows that the deviation is due to the alignment dependent interaction between the dimer and the droplet surface. This interaction confines the dimer to the tangential plane of the droplet surface at the point where it resides and is the reason that the observed alignment dynamics is also well described by a 2D quantum rotor model.

Continuous-variable neural network quantum states and the quantum rotor model

We initiate the study of neural network quantum state algorithms for analyzing continuous-variable quantum systems in which the quantum degrees of freedom correspond to coordinates on a smooth manifold. A simple family of continuous-variable trial wavefunctions is introduced which naturally generalizes the restricted Boltzmann machine (RBM) wavefunction introduced for analyzing quantum spin systems. By virtue of its simplicity, the same variational Monte Carlo training algorithms that have been developed for ground state determination and time evolution of spin systems have natural analogues in the continuum. We offer a proof of principle demonstration in the context of ground state determination of a stoquastic quantum rotor Hamiltonian. Results are compared against those obtained from partial differential equation (PDE) based scalable eigensolvers. This study serves as a benchmark against which future investigation of continuous-variable neural quantum states can be compared, and points to the need to consider deep network architectures and more sophisticated training algorithms.

Exotic thermal transitions with spontaneous symmetry breaking

We show that exotic spontaneous symmetry breaking appears in thermal topological phases by perturbing the exact solutions of quantum rotor models coupled to the three-dimensional toric code. The exotic Ising and XY transitions are shown to be in the same universality class, in drastic contrast to the conventional Wilson-Fisher classes without topological orders. Our results indicate that topological orders must be included to pin down the universality classes of thermal transitions in addition to order parameter symmetry and spatial dimension. We evaluate all the critical exponents and find that the exotic universality class is more stable under the couplings to acoustic phonons and disorder. Applying our results to experiments, we provide a plausible scenario in puzzlings of strongly correlated systems, including the absence of a specific heat anomaly in doped ${\mathrm{RbFe}}_{2}{\mathrm{As}}_{2}$.

Solving quantum rotor model with different Monte Carlo techniques

We systematically test the performance of several Monte Carlo update schemes for the (2 + 1)d XY phase transition of quantum rotor model. By comparing the local Metropolis (LM), LM plus over-relaxation (OR), Wolff-cluster (WC), hybrid Monte Carlo (HM), hybrid Monte Carlo with Fourier acceleration (FA) schemes, it is clear that among the five different update schemes, at the quantum critical point, the WC and FA schemes acquire the smallest autocorrelation time and cost the least amount of CPU hours in achieving the same level of relative error, and FA enjoys a further advantage of easily implementable for more complicated interactions such as the long-range ones. These results bestow one with the necessary knowledge of extending the quantum rotor model, which plays the role of ferromagnetic/antiferromagnetic critical bosons or Z 2 topological order, to more realistic and yet challenging models such as Fermi surface Yukawa-coupled to quantum rotor models.

Tensor network simulation of the ( 1+1 )-dimensional O(3) nonlinear σ -model with θ=π term

We perform a tensor network simulation of the ($1+1$)-dimensional $O(3)$ nonlinear $\ensuremath{\sigma}$-model with $\ensuremath{\theta}=\ensuremath{\pi}$ term. Within the Hamiltonian formulation, this field theory emerges as the finite-temperature partition function of a modified quantum rotor model decorated with magnetic monopoles. Using the monopole harmonics basis, we derive the matrix representation for this modified quantum rotor model, which enables tensor network simulations. We employ our recently developed continuous matrix product operator method [Tang et al., Phys. Rev. Lett. 125, 170604 (2020)] to study the finite-temperature properties of this model and reveal its massless nature. The central charge as a function of the coupling constant is directly extracted in our calculations and compared with field theory predictions.

Tightening the Lieb-Robinson Bound in Locally Interacting Systems

The Lieb-Robinson (LR) bound rigorously shows that in quantum systems with short-range interactions, the maximum amount of information that travels beyond an effective "light cone" decays exponentially with distance from the light-cone front, which expands at finite velocity. Despite being a fundamental result, existing bounds are often extremely loose, limiting their applications. We introduce a method that dramatically and qualitatively improves LR bounds in models with finite-range interactions. Most prominently, in systems with a large local Hilbert space dimension $D$, our method gives an LR velocity that grows much slower than previous bounds with $D$ as $D\to \infty$. For example, in the Heisenberg model with spin $S$, we find $v\leq$ const. compared to the previous $v\propto S$ which diverges at large $S$, and in multiorbital Hubbard models with $N$ orbitals, we find $v\propto \sqrt{N}$ instead of previous $v\propto N$, and similarly in the $N$-state truncated Bose-Hubbard model and Wen's quantum rotor model. Our bounds also scale qualitatively better in some systems when the spatial dimension or certain model parameters become large, for example in the $d$-dimensional quantum Ising model and perturbed toric code models. Even in spin-1/2 Ising and Fermi-Hubbard models, our method improves the LR velocity by an order of magnitude with typical model parameters, and significantly improves the LR bound at large distance and early time.

Superfluid density and compressibility at the superfluid-Mott glass transition

Systems of disordered interacting bosons with particle-hole symmetry can undergo a quantum phase transition between the superfluid phase and the Mott glass phase which is a gapless incompressible insulator. We employ large-scale Monte Carlo simulations of a two-dimensional site-diluted quantum rotor model to investigate the properties of the superfluid density and the compressibility at this transition. We find that both quantities feature power-law critical behavior with exponents governed by generalized Josephson relations.

Topological description of the solidification of undercooled fluids and the temperature dependence of the thermal conductivity of crystalline and glassy solids above approximately 50 K

Topological origins of the thermal transport properties of crystalline and non-crystalline solid states are considered herein, by the adoption of a quaternion orientational order parameter to describe solidification. Global orientational order, achieved by spontaneous symmetry breaking, is prevented at finite temperatures for systems that exist in restricted dimensions (Mermin–Wagner theorem). Just as complex ordered systems exist in restricted dimensions in 2D and 1D, owing to the dimensionality of the order parameter, quaternion ordered systems in 4D and 3D exist in restricted dimensions. Just below the melting temperature, misorientational fluctuations in the form of spontaneously generated topological defects prevent the development of the solid state. Such solidifying systems are well-described using O(4) quantum rotor models, and a defect-driven Berezinskii–Kosterlitz–Thouless transition is anticipated to separate an undercooled fluid from a crystalline solid state. In restricted dimensions, in addition to orientationally-ordered ground states, orientationally-disordered ground states may be realized by tuning a non-thermal parameter in the relevant O(n) quantum rotor model Hamiltonian. Thus, glassy solid states are anticipated to exist as distinct ground states of O(4) quantum rotor models. Within this topological framework for solidification, the finite Kauzmann temperature marks a first-order transition between crystalline and glassy solid states at a ‘self-dual’ critical point that belongs to O(4) quantum rotor models. This transition is a higher-dimensional analogue to the quantum phase transition that belongs to O(2) Josephson junction arrays (JJAs). The thermal transport properties of crystalline and glassy solid states, above approximately 50 K, are considered alongside the electrical transport properties of JJAs across the superconductor-to-superinsulator transition.

Quantum vortex melting and superconductor insulator transition in a 2D Josephson junction array in a perpendicular magnetic field via diffusion Monte Carlo

In this study, we simulated a quantum rotor model describing a Josephson junction array (JJA) in the phase representation at zero temperature in a perpendicular magnetic field (in units of ) on a square lattice with spacing a for . The superconductor-insulator transition (SIT) is tuned by the ratio of charging energy to Josephson coupling, U/J. Abrupt drops in the magnetization values were observed in the bigger lattices at certain values of B and U/J caused by the formation of vortices. Increasing U/J at a fixed B field causes quantum vortex melting. The magnetization drops to zero around indicating SIT. For B = 0.1 the SIT occurs without an intermediate vortex state and the magnetization scales as , whereas for B = 0.4 the scaling is during the vortex melting. For B between 0.1 and 0.4 the scaling is not clear. We used the diffusion Monte Carlo (DMC) method with a guiding wavefunction optimized using the variational Monte Carlo (VMC) method. The ground state energy is calculated easily in DMC and its error estimates were generally smaller than , both with and without the guiding wavefunction. Quantities like magnetization and vorticity that do not commute with the Hamiltonian were calculated using an efficient forward walking algorithm. Their estimates are affected severely in absence of the guiding wavefunction. With the guiding wavefunction, errors for the magnetization were generally less than and going up to percent around the phase transition from the Meissner to the vortex state, and without the guiding wavefunction errors were generally higher than and going up to around the critical point.

Random gauge models of the superconductor-insulator transition in two-dimensional disordered superconductors

We study numerically the superconductor-insulator transition in two-dimensional inhomogeneous superconductors with gauge disorder, described by four different quantum rotor models: a gauge glass, a flux glass, a binary phase glass and a Gaussian phase glass. The first two models, describe the combined effect of geometrical disorder in the array of local superconducting islands and a uniform external magnetic field while the last two describe the effects of random negative Josephson-junction couplings or $\pi$ junctions. Monte Carlo simulations in the path-integral representation of the models are used to determine the critical exponents and the universal conductivity at the quantum phase transition. The gauge and flux glass models display the same critical behavior, within the estimated numerical uncertainties. Similar agreement is found for the binary and Gaussian phase-glass models. Despite the different symmetries and disorder correlations, we find that the universal conductivity of these models is approximately the same. In particular, the ratio of this value to that of the pure model agrees with recent experiments on nanohole thin film superconductors in a magnetic field, in the large disorder limit.

Superuid-Mott glass quantum multicritical point on a percolating lattice

We employ large-scale Monte Carlo simulations to study a particle-hole symmetric site-diluted quantum rotor model in two dimensions. The ground state phase diagram of this system features two distinct quantum phase transitions between the superuid and the insulating (Mott glass) phases. They are separated by a multicritical point. The generic transition for dilutions below the lattice percolation threshold is driven by quantum uctuations while thetransition across the percolation threshold is due to the geometric uctuations of the lattice. We determine the location of the multicritical point between these two transitions and find its critical behavior. The multicritical exponents read z = 1:72(2), β/ν = 0:41(2), and γ/ν = 2:90(5). We compare our results to other quantum phase transitions in disordered systems, and we discuss experiments.

Criticality and phase diagram of quantum long-range O( N ) models

Several recent experiments in atomic, molecular and optical systems motivated a huge interest in the study of quantum long-range %spin systems. Our goal in this paper is to present a general description of their critical behavior and phases, devising a treatment valid in $d$ dimensions, with an exponent $d+\sigma$ for the power-law decay of the couplings in the presence of an $O(N)$ symmetry. By introducing a convenient ansatz for the effective action, we determine the phase diagram for the $N$-component quantum rotor model with long-range interactions, with $N=1$ corresponding to the Ising model. The phase diagram in the $\sigma-d$ plane shows a non trivial dependence on $\sigma$. As a consequence of the fact that the model is quantum, the correlation functions are anisotropic in the spatial and time coordinates for $\sigma$ smaller than a critical value and in this region the isotropy is not restored even at criticality. Results for the correlation length exponent $\nu$, the dynamical critical exponent $z$ and a comparison with numerical findings for them are presented.

Quantum critical behavior of the superfluid-Mott glass transition

We investigate the zero-temperature superfluid to insulator transitions in a diluted two-dimensional quantum rotor model with particle-hole symmetry. We map the Hamiltonian onto a classical $(2+1)$-dimensional XY model with columnar disorder which we analyze by means of large-scale Monte Carlo simulations. For dilutions below the lattice percolation threshold, the system undergoes a generic superfluid-Mott glass transition. In contrast to other quantum phase transitions in disordered systems, its critical behavior is of conventional power-law type with universal (dilution-independent) critical exponents $z=1.52(3)$, $\nu=1.16(5)$, $\beta/\nu= 0.48(2)$, $\gamma/\nu=2.52(4)$, and $\eta=-0.52(4)$. These values agree with and improve upon earlier Monte-Carlo results [Phys. Rev. Lett. 92, 015703 (2004)] while (partially) excluding other findings in the literature. As a further test of universality, we also consider a soft-spin version of the classical Hamiltonian. In addition, we study the percolation quantum phase transition across the lattice percolation threshold; its critical behavior is governed by the lattice percolation exponents in agreement with recent theoretical predictions. We relate our results to a general classification of phase transitions in disordered systems, and we briefly discuss experiments.

Critical properties of the quantum rotor model with phase frustration at incommensurate filling in two dimensions

The critical properties of the zero-temperature superfluid-insulator transition in the fullyfrustrated quantum rotor model at incommensurate filling in two dimensions are studied. We develop a spherical approximation scheme for the model with phase frustration f = 1/2 by choosing a primitive unit cell composed of two sites. The finite-size scaling behavior of various physical quantities in the spherical limit provides the correlation length critical exponent ν = 0.5 and the dynamical critical exponent z = 2, which are consistent with the scenario of the generic superfluidinsulator transition even in the presence of phase frustration.

Quantum rotor theory of systems of spin-2 bosons

We consider quantum phases of tightly-confined spin-2 bosons in an external field under the presence of rotationally-invariant interactions. Generalizing previous treatments, we show how this system can be mapped onto a quantum rotor model. Within the rotor framework, low-energy excitations about fragmented states, which cannot be accessed within standard Bogoliubov theory, can be obtained. In the spatially extended system in the thermodynamic limit there exists a mean-field ground state degeneracy between a family of nematic states for appropriate interaction parameters. It has been established that quantum fluctuations lift this degeneracy through the mechanism of order-by-disorder and select either a uniaxial or square-biaxial ground state. On the other hand, in the full quantum treatment of the analogous single-spatial mode problem with finite particle number it is known that, due to symmetry restoring fluctuations, there is a unique ground state across the entire nematic region of the phase diagram. Within the established rotor framework we investigate the possible quantum phases under the presence of a quadratic Zeeman field, a problem which has previously received little attention. By investigating wave function overlaps we do not find any signatures of the order-by-disorder phenomenon which is present in the continuum case. Motivated by this we consider an alternative external potential which breaks less symmetry than the quadratic Zeeman field. For this case we do find the phenomenon of order-by-disorder in the fully quantum system. This is established within the rotor framework and with exact diagonalization.

Quantum Griffiths Inequalities

We present a general framework of Griffiths inequalities for quantum systems. Our approach is based on operator inequalities associated with self-dual cones and provides a consistent viewpoint of the Griffiths inequality. As examples, we discuss the quantum Ising model, quantum rotor model, Bose--Hubbard model, Hubbard model, and spin-1/2 quantum Heisenberg model. We present a model-independent structure that governs the correlation inequalities.

Quantum Critical Scaling of Dirty Bosons in Two Dimensions.

We determine the dynamical critical exponent z appearing at the Bose glass to superfluid transition in two dimensions by performing large scale numerical studies of two microscopically different quantum models within the universality class: The hard-core boson model and the quantum rotor (soft core) model, both subject to strong on-site disorder. By performing many simulations at different system size L and inverse temperature β close to the quantum critical point, the position of the critical point and the critical exponents, z, ν, and η can be determined independently of any implicit assumptions of the numerical value of z, in contrast to most prior studies. This is done by a careful scaling analysis close to the critical point with a particular focus on the temperature dependence of the scaling functions. For the hard-core boson model we find z=1.88(8), ν=0.99(3), and η=-0.16(8) with a critical field of h(c)=4.79(3), while for the quantum rotor model we find z=1.99(5), ν=1.00(2), and η=-0.3(1) with a critical hopping parameter of t(c)=0.0760(5). In both cases do we find a correlation length exponent consistent with ν=1, saturating the bound ν≥2/d as well as a value of z significantly larger than previous studies, and for the quantum rotor model consistent with z=d.

Superfluid-insulator transition of the two-dimensional fully-frustrated quantum rotor model in the spherical limit

We study the critical properties of the superfluid-insulator transition in the fully-frustrated quantum rotor model at commensurate filling in two dimensions. By developing a large-N method that is applicable to the model with frustration, we find the finite-size scaling properties in the spherical limit, from which the correlation length critical exponent ? = 1.0 and the dynamical critical exponent z = 1 are confirmed. A universal sheet resistance of Rc/R0 = 1.25(1) at the critical point, where R0 is the quantum resistance, is obtained, which is consistent with the theoretical prediction.

Bosonic many-body theory of quantum spin ice

We carry out an analytical study of quantum spin ice, a U$(1)$ quantum spin liquid close to the classical spin ice solution for an effective spin $1/2$ model with anisotropic exchange couplings $J_{zz}$, $J_{\pm}$ and $J_{z\pm}$ on the pyrochlore lattice. Starting from the quantum rotor model introduced by Savary and Balents in Phys. Rev. Lett. 108, 037202 (2012), we retain the dynamics of both the spinons and gauge field sectors in our treatment. The spinons are described by a bosonic representation of quantum XY rotors while the dynamics of the gauge field is captured by a phenomenological Hamiltonian. By calculating the one-loop spinon self-energy, which is proportional to $J_{z\pm}^2$, we determine the stability region of the U$(1)$ quantum spin liquid phase in the $J_{\pm}/J_{zz}$ vs $J_{z\pm}/J_{zz}$ zero temperature phase diagram. From these results, we estimate the location of the boundaries between the spin liquid phase and classical long-range ordered phases.