We study the impurity physics at a continuous quantum phase transition from an SU(3) symmetric N\'eel-ordered state to a valence-bond-solid state that breaks lattice symmetries, using quantum Monte Carlo techniques. This continuous transition is expected to be an example of ``deconfined criticality'' in an SU(3) symmetric system. We find that the spin-texture induced by a missing-spin defect at the transition takes on a finite-size scaling form consistent with expectations from standard scaling arguments at a scale-invariant quantum critical point, albeit with significant subleading power-law finite size corrections that we analyze in detail. Together with recently found logarithmic violations of scaling at similar continuous transitions in the SU(2) case, our results provide indirect evidence of the existence of operators that become marginal as
N is reduced to
2 in the field theoretical description of these deconfined critical points.
The spin texture surrounding a nonmagnetic impurity in a quantum antiferromagnet is a sensitive probe of the novel physics of a class of quantum phase transitions between a N\'eel ordered phase and a valence-bond solid phase in square lattice
S=1/2 antiferromagnets. Using a newly developed
T=0 quantum Monte Carlo technique, we compute this spin texture at these transitions and find that it does not obey the universal scaling form expected at a scale invariant quantum critical point. We also identify the precise logarithmic form of these scaling violations. Our results are expected to yield important clues regarding the probable theory of these unconventional transitions.
The nature of quantum spin liquids is studied for the spin-
1/2 antiferromagnetic Heisenberg model on a square lattice containing exchange interactions between nearest-neighbor sites,
J1, and those between next-nearest-neighbor sites,
J2. We perform variational Monte Carlo simulations together with the quantum-number-projection technique and clarify the phase diagram in the ground state together with its excitation spectra. We obtain the nonmagnetic phase in the region
0.4<J2/J1≤0.6 sandwiched by the staggered and stripe antiferromagnetic (AF) phases. Our direct calculations of the spin gap support the notion that the triplet excitation from the singlet ground state is gapless in the range of
0.4<J2/J1≤0.5, while the gapped valence-bond-crystal (VBC) phase is stabilized for
0.5<J2/J1≤0.6. The VBC order is likely to have the columnar symmetry with a spontaneous symmetry breaking of the
C4v symmetry. The power-law behaviors of the spin-spin and dimer-dimer correlation functions in the gapless region are consistent with the emergence of the algebraic quantum-spin-liquid phase (critical phase). The exponent of the spin correlation
⟨S(0)S(r)⟩∝1/rz+η at a long distance
r appears to increase from
z+η∼1 at
J2/J1∼0.4 toward the continuous transition to the VBC phase at
J1/J1∼0.5. Our results, however, do not fully exclude the possibility of a direct quantum transition between the staggered AF and VBC phases with a wide critical region and deconfined criticality.
Various lattice geometries and boundary conditions are used to investigate valence-bond-solid (VBS) ordering in the ground state of an
S=1/2 square-lattice quantum spin model---the
J-
Q model, in which four- or six-spin interactions
Q are added to the standard Heisenberg exchange
J. Ground-state results for finite systems (with up to thousands of spins) are obtained using an unbiased projector quantum Monte Carlo method. It is found that great care has to be taken when extrapolating the order parameter to infinite lattice size, in particular, in cylinder geometry. Even though strong VBS order exists in two dimensions, and is established clearly with increasing system size on $L\ifmmode\times\else\texttimes\fi{}L$ lattices (or ${L}_{x}\ifmmode\times\else\texttimes\fi{}{L}_{y}$ lattices with a fixed aspect ratio
Lx/Ly of order 1), only short-range VBS correlations are observed on long cylinders (when ${L}_{x}\ensuremath{\rightarrow}\ensuremath{\infty}$ at fixed
Ly). The correlation length increases with the cylinder width, until long-range order sets in at a ``critical'' width. This width is very large even when the 2D order is relatively strong. For example, for a system in which the order parameter is
70 of the largest possible value,
Ly=8 is required for ordering. Extrapolations of the VBS order parameter based on correlation functions (the square of the order parameter) for small $L\ifmmode\times\else\texttimes\fi{}L$ lattices can also be misleading. For a
20-ordered system, results for
L up to $\ensuremath{\approx}$20 appear to extrapolate clearly to a vanishing order parameter, while for larger lattices the scaling behavior crosses over and extrapolates to a nonzero value (with exponentially small finite-size corrections). The VBS order parameter also exhibits interesting edge effects related the known emergent U(1) symmetry close to a ``deconfined'' critical point, which, if not considered properly, can lead to wrong conclusions for the thermodynamic limit. The observed finite-size behavior for small $L\ifmmode\times\else\texttimes\fi{}L$ lattices and long cylinders is very similar to that predicted for a
Z2 spin liquid. The results therefore raise concerns about recent numerical work claiming
Z2 spin-liquid ground states in 2D frustrated quantum spin systems, in particular, the Heisenberg model with nearest and next-nearest-neighbor couplings. Based on the results presented so far, a VBS state in this system cannot be ruled out.
The ground-state parameters of the two-dimensional
S=1/2 antiferromagnetic Heisenberg model are calculated using the stochastic series expansion quantum Monte Carlo method for $L\ifmmode\times\else\texttimes\fi{}L$ lattices with
L up to
16. The finite-size results for the energy
E, the sublattice magnetization
M, the long-wavelength susceptibility ${\ensuremath{\chi}}_{\ensuremath{\perp}}(q=2\ensuremath{\pi}/L)$, and the spin stiffness ${\ensuremath{\rho}}_{s},$ are extrapolated to the thermodynamic limit using fits to polynomials in
1/L, constrained by scaling forms previously obtained from renormalization-group calculations for the nonlinear $\ensuremath{\sigma}$ model and chiral perturbation theory. The results are fully consistent with the predicted leading finite-size corrections, and are of sufficient accuracy for extracting also subleading terms. The subleading energy correction $(\ensuremath{\sim}{1/L}^{4})$ agrees with chiral perturbation theory to within a statistical error of a few percent, thus providing numerical confirmation of the finite-size scaling forms to this order. The extrapolated ground- state energy per spin is $E=\ensuremath{-}0.669437(5)$. The result from previous Green's function Monte Carlo (GFMC) calculations is slightly higher than this value, most likely due to a small systematic error originating from ``population control'' bias in GFMC. The other extrapolated parameters are
M=0.3070(3), ${\ensuremath{\rho}}_{s}=0.175(2)$, ${\ensuremath{\chi}}_{\ensuremath{\perp}}=0.0625(9)$, and the spin-wave velocity
c=1.673(7). The statistical errors are comparable with those of previous estimates obtained by fitting loop algorithm quantum Monte Carlo data to finite-temperature scaling forms. Both
M and ${\ensuremath{\rho}}_{s}$ obtained from the finite-
T data are, however, a few error bars higher than the present estimates. It is argued that the
T=0 extrapolations performed here are less sensitive to effects of neglected higher-order corrections, and therefore should be more reliable.
The spin-1=2 Heisenberg model on the pyrochlore lattice is an iconic frustrated three-dimensional spin system with a rich phase diagram.Besides hosting several ordered phases, the model is debated to possess a spin-liquid ground state when only nearest-neighbor antiferromagnetic interactions are present.Here, we contest this hypothesis with an extensive numerical investigation using both exact diagonalization and complementary variational techniques.Specifically, we employ a resonating-valence-bond-like, manyvariable, Monte Carlo ansatz and convolutional neural network quantum states for (variational) calculations with up to 4 × 4 3 and 4 × 3 3 spins, respectively.We demonstrate that these techniques yield consistent results, allowing for reliable extrapolations to the thermodynamic limit.We consider the ðλ; j 2 =j 1 Þ parameter space, with j 2 , j 1 being nearest and next-to-nearest neighbor interactions and λ the XXZ interaction anisotropy.Our main results are (1) the determination of the phase transition between the putative spin-liquid phase and the neighboring magnetically ordered phase and (2) a careful characterization of the ground state in terms of symmetry-breaking tendencies.We find clear indications of a dimer order with spontaneously broken inversion and rotational symmetry, calling the scenario of a featureless quantum spin liquid into question.Our work showcases how many-variable variational techniques can be used to make progress in answering challenging questions about three-dimensional frustrated quantum magnets.