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arXiv:1111.2086 · Physical Review B

Spin structure factor and thermodynamics in the antiferromagnetic transverse-field Ising model on the pyrochlore lattice

Cheng-Ju Lin, Chen-Nan Liao, Chyh-Hong Chern

Published Apr 20, 2012• 5 citations
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Abstract

We numerically compute the temperature dependence of the spin structure factor and thermodynamic quantities in the antiferromagnetic transverse-field Ising model in the pyrochlore lattice. This model exhibits a spin disorder ground state with exponentially decayed spin correlation. There is a pinch point structure in the spin structure factor which exhibits singular behavior at zero temperature. The residual entropy at zero temperature is also correctly obtained.

DOI
10.1103/physrevb.85.134434

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We numerically compute the temperature dependence of the spin structure factor and thermodynamic quantities in the antiferromagnetic transverse-field Ising model in the pyrochlore lattice. This model exhibits a spin disorder ground state with exponentially decayed spin correlation. There is a pinch point structure in the spin structure factor which exhibits singular behavior at zero temperature. The residual entropy at zero temperature is also correctly obtained.
At zero temperature, the classical antiferromagnetic Ising model on the pyrochlore lattice is a spin disorder phase of the critical spin correlation. It is a deconfined phase in that the binding energy of the monopole-anti-monopole pair is independent of their distance of separation. We show that turning on a transverse magnetic field turns it into the cooperative paramagnet, and the spin correlation becomes exponential decay. Furthermore, it introduces the quantum confinement (of magnetic monopoles), where the binding energy of the pair is proportional to their distance of separation. This disorder state undergoes adiabatic transition to the paramagnetic state in the large field limit. The effective Hamiltonian (without magnetic monopoles) in small field is the Ising Hamiltonian plus ring exchange interaction.
We calculate the magnetic phase diagram of the spin- 1 / 2 nearest neighbor XXZ pyrochlore model using the pseudo-Majorana functional renormalization group in the temperature flow formalism. Our phase diagram as a function of temperature and coupling ratio, allowing both longitudinal and transverse couplings to be ferromagnetic and antiferromagnetic, reveals a large nonmagnetic regime at low temperatures, which includes the quantum spin ice phase near the antiferromagnetic Ising model, as well as the antiferromagnetic Heisenberg and XY models. We are able to detect magnetic phase transitions via critical finite size scaling down to temperatures two orders of magnitude smaller than the spin interactions, demonstrating the remarkably good performance of our method upon approaching the ground state. Specifically, the low-temperature transition from the zero-flux quantum spin ice phase into the transverse ferromagnetic phase shows very good agreement with previous quantum Monte Carlo results. Comparing our findings with classical results, we identify a quantum order-by-disorder effect near the antiferromagnetic XY model. In magnetically disordered regimes, we find characteristic patterns of broadened pinch points in the spin structure factor and investigate their evolution when approaching magnetically ordered phases. We also compute linear responses to lattice symmetry breaking perturbations and identify a possible lattice nematic ground state of the antiferromagnetic XY model.
We calculate the magnetic phase diagram of the spin-1/21/21/2 nearest neighbor XXZ pyrochlore model using the pseudo-Majorana functional renormalization group in the temperature flow formalism. Our phase diagram as a function of temperature and coupling ratio, allowing both longitudinal and transverse couplings to be ferromagnetic and antiferromagnetic, reveals a large non-magnetic regime at low temperatures, which includes the quantum spin ice phase near the antiferromagnetic Ising model, as well as the antiferromagnetic Heisenberg and XY models. We are able to detect magnetic phase transitions via critical finite size scaling down to temperatures two orders of magnitude smaller than the spin interactions, demonstrating the remarkably good performance of our method upon approaching the ground state. Specifically, the low temperature transition from the zero-flux quantum spin ice phase into the transverse ferromagnetic phase shows very good agreement with previous quantum Monte Carlo results. Comparing our findings with classical results, we identify a quantum order-by-disorder effect near the antiferromagnetic XY model. In magnetically disordered regimes, we find characteristic patterns of broadened pinch points in the spin structure factor and investigate their evolution when approaching magnetically ordered phases. We also compute linear responses to lattice symmetry breaking perturbations and identify a possible lattice nematic ground state of the antiferromagnetic XY model.
The antiferromagnetic Ising model on the pyrochlore lattice exhibits a quantum phase transition in an applied transverse field from the low-field quantum spin-ice phase to the high-field polarized regime. Recent field-theoretical analysis and series expansion results indicate this to be a discontinuous, first-order transition. Here, we explore this transition using quantum Monte Carlo simulations in order to assess this scenario and study the thermodynamic properties in the vicinity of the quantum phase transition. For this purpose, we also consider several variants of extended cluster-update schemes for the transverse-field Ising antiferromagnet on frustrated lattices and compare their performance to the conventional bond-based algorithm for the transverse-field Ising model on the pyrochlore lattice.
The critical behavior of the random transverse-field Ising model in finite-dimensional lattices is governed by infinite disorder fixed points, several properties of which have already been calculated by the use of the strong disorder renormalization-group (SDRG) method. Here we extend these studies and calculate the connected transverse-spin correlation function by a numerical implementation of the SDRG method in d=1,2d=1,2d=1,2, and 3 dimensions. At the critical point an algebraic decay of the form $\ensuremath{\sim}{r}^{\ensuremath{-}{\ensuremath{\eta}}_{t}}$ is found, with a decay exponent being approximately ${\ensuremath{\eta}}_{t}\ensuremath{\approx}2+2d$. In d=1d=1d=1 the results are related to dimer-dimer correlations in the random antiferromagnetic XXXXXX chain and have been tested by numerical calculations using free-fermionic techniques.
We use a combination of three computational methods to investigate the notoriously difficult frustrated three-dimensional pyrochlore S=12S=\frac{1}{2}S=21​ quantum antiferromagnet, at finite temperature TTT: canonical typicality for a finite cluster of $2\ifmmode\times\else\texttimes\fi{}2\ifmmode\times\else\texttimes\fi{}2$ unit cells (i.e., 32 sites), a finite-TTT matrix product state method on a larger cluster with 48 sites, and the numerical linked cluster expansion (NLCE) using clusters up to 25 lattice sites, including nontrivial hexagonal and octagonal loops. We calculate thermodynamic properties (energy, specific heat capacity, entropy, susceptibility, magnetization) and the static structure factor. We find a pronounced maximum in the specific heat at T=0.57JT=0.57JT=0.57J, which is stable across finite size clusters and converged in the series expansion. At $T\ensuremath{\approx}0.25J$ (the limit of convergence of our method), the residual entropy per spin is 0.47kBln20.47{k}_{B}ln20.47kB​ln2, which is relatively large compared to other frustrated models at this temperature. We also observe a nonmonotonic dependence on TTT of the magnetization at low magnetic fields, reflecting the dominantly nonmagnetic character of the low-energy states. A detailed comparison of our results to measurements for the S=1S=1S=1 material NaCaNi2F7{\mathrm{NaCaNi}}_{2}{\mathrm{F}}_{7}NaCaNi2​F7​ yields a rough agreement of the functional form of the specific heat maximum, which in turn differs from the sharper maximum of the heat capacity of the spin ice material Dy2Ti2O7{\mathrm{Dy}}_{2}{\mathrm{Ti}}_{2}{\mathrm{O}}_{7}Dy2​Ti2​O7​.