Quasiparticle properties of quantum magnets with long-range interactions are investigated by high-order linked-cluster expansions in the thermodynamic limit. It is established that perturbative continuous unitary transformations on white graphs are a promising and flexible approach to treat long-range interactions in quantum many-body systems. We exemplify this scheme for the one-dimensional transverse-field Ising chain with long-range interactions. For this model, the elementary quasiparticle gap is determined allowing to access the quantum-critical regime including critical exponents and multiplicative logarithmic corrections for the ferro- and antiferromagnetic case.
We study the critical breakdown of two-dimensional quantum magnets in the presence of algebraically decaying long-range interactions by investigating the transverse-field Ising model on the square and triangular lattice. This is achieved technically by combining perturbative continuous unitary transformations with classical Monte Carlo simulations to extract high-order series for the one-particle excitations in the high-field quantum paramagnet. We find that the unfrustrated systems change from mean-field to nearest-neighbor universality with continuously varying critical exponents. In the frustrated case on the square lattice the system remains in the universality class of the nearest-neighbor model independent of the long-range nature of the interaction, while we argue that the quantum criticality for the triangular lattice is terminated by a first-order phase transition line.
The quantum-critical properties of the transverse-field Ising model with algebraically decaying interactions are investigated by means of stochastic series expansion quantum Monte Carlo, on both the one-dimensional linear chain and the two-dimensional square lattice. We extract the critical exponents $\ensuremath{\nu}$ and $\ensuremath{\beta}$ as a function of the decay exponent of the long-range interactions. For ferromagnetic Ising interactions, we resolve the limiting regimes known from field theory, ranging from the nearest-neighbor Ising to the long-range Gaussian universality classes, as well as the intermediate regime with continuously varying critical exponents. In the long-range Gaussian regime, we treat the effect of dangerous irrelevant variables on finite-size scaling forms. For antiferromagnetic and therefore competing Ising interactions, the stochastic series expansion algorithm displays growing autocorrelation times leading to a reduced performance. Nevertheless, our results are consistent with the nearest-neighbor Ising universality for all investigated interaction ranges both on the linear chain and the square lattice.
Many strongly correlated quantum systems are difficult to study numerically because of the exponential growth of the Hilbert space combined with the failure of numerical methods in important parameter regimes. This includes the long-standing problems of high-temperature superconductivity and frustrated magnetism. A promising solution to this dilemma are quantum simulators, well-controlled (synthetic) quantum systems, emulating model Hamiltonians not only of condensed matter systems, where parameters can be tuned at will and model complexity can be added step by step. This dissertation presents numerical simulation studies that are motivated by quantum simulators. Using large-scale quantum Monte Carlo computer simulations and mean-field theory the semiquantitative ground state phase diagram of a Penning ion trap quantum simulator, realizing a two-dimensional model of quantum magnetism with long-range interactions, is obtained. We study also thermal and quantum phase transitions in one-dimensional transverse-field Ising models with long-range interactions, which exhibit a Kosterlitz-Thouless transition and universality classes with continuously varying critical exponents. The second part of this thesis is concerned with the Fermi-Hubbard model, which has been realized recently with ultracold atoms in optical lattices, both for repulsive and attractive interactions. Equipped with a quantum gas microscope, which allows single-site single-atom detection, these experimental setups can collect histograms of the particle number from repeated projective measurements. This dissertation presents a method to compute such full counting statistics for quadratic operators such as particle number or magnetization in the framework of determinantal quantum Monte Carlo. From an analysis of the full counting statistics of the particle number for different subsystem sizes the size of preformed pairs or Cooper pairs in the attractive Hubbard model is inferred. Furthermore, excellent agreement of the numerically computed probability distribution of the staggered magnetization with a recent quantum gas experiment demonstrates that current experiments are capable of resolving the differences between the Hubbard model and its limiting Heisenberg model. An extensive method section reviews the stochastic series expansion quantum Monte Carlo method for Ising models in a transverse field, which is free of the sign problem for arbitrary interactions, with special emphasis on the efficient simulation of long-range interactions. Also a self-contained introduction to the determinantal quantum Monte Carlo method is provided.
In the study of strongly interacting condensed-matter systems controlled microscopic theories hold a key position. Spin-wave theory, large-N expansion, and
epsilon-expansion are some of the few successful cornerstones. In this doctoral thesis work, we have developed a novel large-
d expansion method,
d being the spatial dimension, to study model Hamiltonians hosting a quantum phase transition between a paramagnet and a magnetically ordered phase. A highlight of this technique is that it can consistently describe the entire phase diagram of the above mentioned models, including the quantum critical point. Note that most analytical techniques either efficiently describe only one of the phases or suffer from divergences near the critical point. The idea of large-
d formalism is that in this limit, non-local fluctuations become unimportant and that a suitable product state delivers exact expectation values for local observables, with corrections being suppressed in powers of
1/d. It turns out that, due to momentum summation properties of the interaction structure factor, all diagrams are suppressed in powers of
1/d leading to an analytic expansion. We have demonstrated this method in two important systems namely, the coupled-dimer magnets and the transverse-field Ising model. Coupled-dimer magnets are Heisenberg spin systems with two spins, coupled by intra-dimer antiferromagnetic interaction, per crystallographic unit cell (dimer). In turn, spins from neighboring dimers interact via some inter-dimer interaction. A quantum paramagnet is realized for a dominant intra-dimer interaction, while a magnetically ordered phase exists for a dominant (or of the same order as intra-dimer interaction) inter-dimer interaction. These two phases are connected by a quantum phase transition, which is in the Heisenberg O(3) universality class. Microscopic analytical theories to study such systems have been restricted to either only one of the phases or involve uncontrolled approximations. Using a non-linear bond-operator theory for spins with S=
1/2, we have calculated the
1/d expansion of static and dynamic observables for coupled dimers on a hypercubic lattice at zero temperature. Analyticity of the
1/d expansion, even at the critical point, is ensured by correctly identifying suitable observables using the mean-field critical exponents. This method yields gapless excitation modes in the continuous symmetry broken phase, as required by Goldstone\'s theorem. In appropriate limits, our results match with perturbation expansion in small ratio of inter-dimer and intra-dimer coupling, performed using continuous unitary transformations, as well as the spin-wave theory for spin-
1/2 in arbitrary dimensions. We also discuss the Brueckner approach, which relies on small quasiparticle density, and derive the same
1/d expansion for the dispersion relation in the disordered phase. Another success of our work is in describing the amplitude (Higgs) mode in coupled-dimer magnets. Our novel method establishes the popular bond-operator theory as a controlled approach. In
d=2, the results from our calculations are in qualitative agreement with the quantum Monte Carlo study of the square-lattice bilayer Heisenberg AF spin-
1/2 model. In particular, our results are useful to identify the amplitude (Higgs) mode in the QMC data. The ideas of large-
d are also successfully applied to the transverse-field Ising model on a hypercubic lattice. Similar to bond operators, we have introduced auxiliary Bosonsic operators to set up our method in this case. We have also discussed briefly the bilayer Kitaev model, constructed by antiferromagnetically coupling two layers of the Kitaev model on a honeycomb lattice. In this case, we investigate the dimer quantum paramagnetic phase, realized in the strong inter-layer coupling limit. Using bond-operator theory, we calculate the mode dispersion in this phase, within the harmonic approximation. We also conjecture a zero-temperature phase diagram for this model.