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Register a new userThermodynamics of the pyrochlore-lattice quantum Heisenberg antiferromagnet
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We use the rotation-invariant Greens function method (RGM) and the high-temperature expansion (HTE) to study the thermodynamic properties of the Heisenberg antiferromagnet on the pyrochlore lattice. We discuss the excitation spectra as well as various thermodynamic quantities, such as spin correlations, uniform susceptibility, specific heat and static and dynamical structure factors. For the ground state we present RGM data for arbitrary spin quantum numbers $S$. At finite temperatures we focus on the extreme quantum cases $S=1/2$ and $S=1$. We do not find indications for magnetic long-range order for any value of $S$. We discuss the width of the pinch point in the static structure factor in dependence on temperature and spin quantum number. We compare our data with experimental results for the pyrochlore compound NaCaNi$_2$F$_7$ ($S=1$). Thus, our results for the dynamical structure factor agree well with the experimentally observed features at 3 ldots 8~meV for NaCaNi$_2$F$_7$. We analyze the static structure factor ${S}_{bf q}$ to find regions of maximal ${S}_{bf q}$. The high-temperature series of the ${S}_{bf q}$ provide a fingerprint of weak {it order by disorder} selection of a collinear spin structure, where (classically) the total spin vanishes on each tetrahedron and neighboring tetrahedra are dephased by $pi$.
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The spin-half pyrochlore Heisenberg antiferromagnet (PHAF) is one of the most challenging problems in the field of highly frustrated quantum magnetism. Stimulated by the seminal paper of M.~Planck [M.~Planck, Verhandl. Dtsch. phys. Ges. {bf 2}, 202-204 (1900)] we calculate thermodynamic properties of this model by interpolating between the low- and high-temperature behavior. For that we follow ideas developed in detail by B.~Bernu and G.~Misguich and use for the interpolation the entropy exploiting sum rules [the ``entropy method (EM)]. We complement the EM results for the specific heat, the entropy, and the susceptibility by corresponding results obtained by the finite-temperature Lanczos method (FTLM) for a finite lattice of $N=32$ sites as well as by the high-temperature expansion (HTE) data. We find that due to pronounced finite-size effects the FTLM data for $N=32$ are not representative for the infinite system below $T approx 0.7$. A similar restriction to $T gtrsim 0.7$ holds for the HTE designed for the infinite PHAF. By contrast, the EM provides reliable data for the whole temperature region for the infinite PHAF. We find evidence for a gapless spectrum leading to a power-law behavior of the specific heat at low $T$ and for a single maximum in $c(T)$ at $Tapprox 0.25$. For the susceptibility $chi(T)$ we find indications of a monotonous increase of $chi$ upon decreasing of $T$ reaching $chi_0 approx 0.1$ at $T=0$. Moreover, the EM allows to estimate the ground-state energy to $e_0approx -0.52$.
We use the rotation-invariant Greens function method (RGM) and the high-temperature expansion (HTE) to study the thermodynamic properties of the spin-$S$ Heisenberg ferromagnet on the pyrochlore lattice. We examine the excitation spectra as well as various thermodynamic quantities, such as the order parameter (magnetization), the uniform static susceptibility, the correlation length, the spin-spin correlations, and the specific heat, as well as the static and dynamic structure factors. We discuss the influence of the spin quantum number $S$ on the temperature dependence of these quantities. We compare our results for the pyrochlore ferromagnet with the corresponding ones for the simple-cubic lattice both having the same coordination number $z=6$. We find a significant suppression of magnetic ordering for the pyrochlore lattice due to its geometry with corner-sharing tetrahedra.
The gadolinium pyrochlores, Gd$_2B_2$O$_7$, are amongst the best realizations of antiferromagnetically coupled Heisenberg spins on a pyrochlore lattice. We present a magnetic characterization of Gd$_2$Pt$_2$O$_7$, a unique member of this family. Magnetic susceptibility, heat capacity, and muon spin relaxation measurements show that Gd$_2$Pt$_2$O$_7$ undergoes an antiferromagnetic ordering transition at $T_N = 1.6$ K. This transition is strongly first order, as indicated by the sharpness of the heat capacity anomaly, thermal hysteresis in the magnetic susceptibility, and a non-divergent relaxation rate in $mu$SR. The form of the heat capacity below $T_N$ suggests that the ground state is an anisotropic collinear antiferromagnet with an excitation spectrum that is gapped by 0.245(1) meV. The ordering temperature in Gd$_2$Pt$_2$O$_7$, $T_N = 1.6$ K, is a substantial 160% increase from other gadolinium pyrochlores, which have been found to order at 1 K or lower. We attribute this enhancement in $T_N$ to the $B$-site cation, platinum, which, despite being non-magnetic, has a filled $5d$ $t_{2g}$ orbital and an empty $5d$ $e_g$ orbital that can facilitate superexchange. Thus, the magnetic frustration in Gd$_2$Pt$_2$O$_7$ is partially relieved, thereby promoting magnetic order.
In spinels ACr2O4 (A=Mg, Zn) realisation of the classical pyrochlore Heisenberg antiferromagnet model is complicated by a strong spin-lattice coupling: the extensive degeneracy of the ground state is lifted by a magneto-structural transition at TN=12.5 K. We study the resulting low-temperature low-symmetry crystal structure by synchrotron x-ray diffraction. The consistent features of x-ray low-temperature patterns are explained by the tetragonal model of Ehrenberg et. al (Pow. Diff. 17, 230( 2002)), while other features depend on sample or cooling protocol. Complex partially ordered magnetic state is studied by neutron diffraction and spherical neutron polarimetry. Multiple magnetic domains of configuration arms of the propagation vectors k1=(1/2 1/2 0), k2=(1 0 1/2) appear. The ordered moment reaches 1.94(3) muB/Cr3+ for k1 and 2.08(3) muB/Cr3+ for k2, if equal amount of the k1 and k2 phases is assumed. The magnetic arrangements have the dominant components along the [110] and [1-10] diagonals and a smaller c-component. By inelastic neutron scattering we investigate the spin excitations, which comprise a mixture of dispersive spin waves propagating from the magnetic Bragg peaks and resonance modes centered at equal energy steps of 4.5 meV. We interpret these as acoustic and optical spin wave branches, but show that the neutron scattering cross sections of transitions within a unit of two corner-sharing tetrahedra match the observed intensity distribution of the resonances. The distinctive fingerprint of cluster-like excitations in the optical spin wave branches suggests that propagating excitations are localized by the complex crystal structure and magnetic orders.
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 RVB-like many-variable Monte Carlo ansatz and convolutional neural network quantum states for (variational) calculations with up to $4times 4^3$ and $4 times 3^3$ spins, respectively. We demonstrate that these techniques yield consistent results, allowing for reliable extrapolations to the thermodynamic limit. 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 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.
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