What is the correct low-energy spin Hamiltonian description of α-RuCl3? The material is a promising Kitaev spin liquid candidate, but is also known to order magnetically, the description of which ...necessitates additional interaction terms. The nature of these interactions, their magnitudes and even signs, remain an open question. In this work we systematically investigate dynamical and thermodynamic magnetic properties of proposed effective Hamiltonians. We calculate zero-temperature inelastic neutron scattering (INS) intensities using exact diagonalization, and magnetic specific heat using a thermal pure quantum states method. We find that no single current model satisfactorily explains all observed phenomena of α-RuCl3. In particular, we find that Hamiltonians derived from first principles can capture the experimentally observed high-temperature peak in the magnetic specific heat, while overestimating the magnon energy at the zone center. In contrast, other models reproduce important features of the INS data, but do not adequately describe the magnetic specific heat. To address this discrepancy we propose a modified ab initio model that is consistent with both magnetic specific heat and low-energy features of INS data.
We theoretically study the magnetic properties of pyrochlore iridate bilayer and trilayer thin films grown along the 111 direction using a strong coupling approach. We find the ground state magnetic ...configurations on a mean field level and carry out a spin-wave analysis about them. In the trilayer case the ground state is found to be the all-in-all-out (AIAO) state, whereas the bilayer has a deformed AIAO state. For all parameters of the spin-orbit coupled Hamiltonian we study, the lowest magnon band in the trilayer case has a nonzero Chern number. In the bilayer case we also find a parameter range with nonzero Chern numbers. We calculate the magnon Hall response for both geometries, finding a striking sign change as a function of temperature. Using a slave-boson mean-field theory we study the doping of the trilayer system and discover an unconventional time-reversal symmetry broken d+id superconducting state. Our study complements prior work in the weak coupling limit and suggests that the 111 grown thin film pyrochlore iridates are a promising candidate for topological properties and unconventional orders.
In quantum magnets, magnetic moments fluctuate heavily and are strongly entangled with each other, a fundamental distinction from classical magnetism. Here, with inelastic neutron scattering ...measurements, we probe the spin correlations of the honeycomb lattice quantum magnet YbCl
. A linear spin wave theory with a single Heisenberg interaction on the honeycomb lattice, including both transverse and longitudinal channels of the neutron response, reproduces all of the key features in the spectrum. In particular, we identify a Van Hove singularity, a clearly observable sharp feature within a continuum response. The demonstration of such a Van Hove singularity in a two-magnon continuum is important as a confirmation of broadly held notions of continua in quantum magnetism and additionally because analogous features in two-spinon continua could be used to distinguish quantum spin liquids from merely disordered systems. These results establish YbCl
as a benchmark material for quantum magnetism on the honeycomb lattice.
We present a theoretical method to generate a highly accurate time-independent Hamiltonian governing the finite-time behavior of a time-periodic system. The method exploits infinitesimal unitary ...transformation steps, from which renormalization-group–like flow equations are derived to produce the effective Hamiltonian. Our tractable method has a range of validity reaching into frequency—and drive strength—regimes that are usually inaccessible via high-frequencyωexpansions in the parameterh/ω, wherehis the upper limit for the strength of local interactions. We demonstrate exact properties of our approach on a simple toy model and test an approximate version of it on both interacting and noninteracting many-body Hamiltonians, where it offers an improvement over the more well-known Magnus expansion and other high-frequency expansions. For the interacting models, we compare our approximate results to those found via exact diagonalization. While the approximation generally performs better globally than other high-frequency approximations, the improvement is especially pronounced in the regime of lower frequencies and strong external driving. This regime is of special interest because of its proximity to the resonant regime where the effect of a periodic drive is the most dramatic. Our results open a new route towards identifying novel nonequilibrium regimes and behaviors in driven quantum many-particle systems.
We use the constrained random phase approximation to derive from first principles the Ru-t2g Wannier-function-based model for the Kitaev spin-liquid candidate material α−RuCl3. We find the nonlocal ...Coulomb repulsion to be sizable compared to the local one. In addition we obtain the contribution to the Hamiltonian from the spin-orbit coupling and find it to also contain non-negligible nonlocal terms. We invoke strong-coupling perturbation theory to investigate the influence of these nonlocal elements of the Coulomb repulsion and the spin-orbit coupling on the magnetic interactions. We find that the nonlocal Coulomb repulsions cause a strong enhancement of the magnetic interactions, which deviate from experimental fits reported in the literature. Our results contribute to the understanding and design of quantum spin-liquid materials via first-principles calculations.
We study the electronic contribution to the thermal conductivity and the thermopower of Weyl and Dirac semimetals using a semiclassical Boltzmann approach. We investigate the effect of various ...relaxation processes including disorder and interactions on the thermoelectric properties, and also consider doping away from the Weyl or Dirac point. We find that the thermal conductivity and thermopower have an interesting dependence on the chemical potential that is characteristic of the linear electronic dispersion, and that the electron-electron interactions modify the Lorenz number. For the interacting system, we also use the Kubo formalism to obtain the transport coefficients. We find exact agreement between the Kubo and Boltzmann approaches at high temperatures. We also consider the effect of electric and magnetic fields on the thermal conductivity in various orientations with respect to the temperature gradient. Notably, when the temperature gradient and magnetic field are parallel, we find a large contribution to the longitudinal thermal conductivity that is quadratic in the magnetic field strength, similar to the magnetic field dependence of the longitudinal electrical conductivity due to the presence of the chiral anomaly when no thermal gradient is present.
Here we calculate the dynamical spin structure factor of the generalized spin-1/2 compass spin chain using the density matrix renormalization group. The model, also known as the twisted Kitaev spin ...chain, was recently proposed to be relevant for the description of the spin chain compound CoNb2O6. It features bond-dependent interactions and interpolates between an Ising chain and a one-dimensional variant of Kitaev's honeycomb spin model. The structure factor, in turn, is found to interpolate from gapped and nondispersive in the Ising limit to gapless with nontrivial continua in the Kitaev limit. In particular, the component of the structure factor perpendicular to the Ising directions changes abruptly at the Kitaev point into a dispersionless continuum due to the emergence of an extensive ground-state degeneracy. We show this continuum is consistent with analytical Jordan-Wigner results. We also discuss implications for future inelastic scattering experiments and applications to materials, particularly CoNb2O6.
We numerically investigate the momentum-space entanglement entropy and entanglement spectrum of the random-dimer model and its generalizations, which circumvent Anderson localization, after a quench ...in the Hamiltonian parameters. The type of dynamics that occurs depends on whether or not the Fermi level of the initial state is near the energy of the delocalized states present in these models. If the Fermi level of the initial state is near the energy of the delocalized states, we observe an interesting slow logarithmiclike growth of the momentum-space entanglement entropy followed by an eventual saturation. Otherwise, the momentum-space entanglement entropy is found to rapidly saturate. We also find that the momentum-space entanglement spectrum reveals the presence of delocalized states in these models for long times after the quench and the many-body entanglement gap decays logarithmically in time when the Fermi level is near the energy of the delocalized states.
Operator square roots are ubiquitous in theoretical physics. They appear, for example, in the Holstein-Primakoff representation of spin operators and in the Klein-Gordon equation. Often the use of a ...perturbative expansion is the only recourse when dealing with them. In this paper, we show that under certain conditions, differential equations can be derived which can be used to find perturbatively inaccessible approximations to operator square roots. Specifically, for the number operator $\hat{n}$ = a†a we show that the square root √$\hat{n}$ near $\hat{n}$ = 0 can be approximated by a polynomial in $\hat{n}$. This result is unexpected because a Taylor expansion fails. A polynomial expression in $\hat{n}$ is possible because $\hat{n}$ is an operator, and its constituents a and a† have a non trivial commutator a, a† = 1 and do not behave as scalars. We apply our approach to the zero-mass Klein-Gordon Hamiltonian in a constant magnetic field and, as a main application, the Holstein-Primakoff representation of spin operators, where we are able to find new expressions that are polynomial in bosonic operators. We prove that these new expressions exactly reproduce spin operators. Our expressions are manifestly Hermitian, which offers an advantage over other methods, such as the Dyson-Maleev representation.
In this report we present a comprehensive study of the magnetic exchange Hamiltonian of elemental gadolinium. We use neutron scattering to measure the magnon spectrum over the entire Brillouin zone ...and fit the excitations to a spin wave model to extract the first 26 nearest-neighbor magnetic exchange interactions with rigorously defined uncertainty. We find these exchange interactions to follow RKKY behavior, oscillating from ferromagnetic to antiferromagnetic as a function of distance. Finally, we discuss the topological features and degeneracies in Gd, and HCP ferromagnets in general. We show theoretically how, with asymmetric exchange, topological properties could be tuned with a magnetic field.
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