Many frustrated spin models on three-dimensional (3D) lattices are currently being investigated, both experimentally and theoretically, and develop new types of long-range orders in their respective phase diagrams. They present finite-temperature phase transitions, most likely in the Heisenberg 3D universality class. However, the combination between the 3D character and frustration makes them hard to study. We present here several methods derived from high-temperature series expansions (HTSEs), which give exact coefficients directly in the thermodynamic limit up to a certain order; for several 3D lattices, supplementary orders than in previous literature are reported for the HTSEs. We introduce an interpolation method able to describe thermodynamic quantities at
T>Tc, which we use here to reconstruct the magnetic susceptibility and the specific heat and to extract universal and nonuniversal quantities (for example, critical exponents, temperature, energy, entropy, and other parameters related to the phase transition). While the susceptibility associated with the order parameter is not usually known for more exotic long-range orders, the specific heat is indicative of a phase transition for any kind of symmetry breaking. We present examples of applications on ferromagnetic and antiferromagnetic models on various 3D lattices and benchmark our results whenever possible.
We develop finite-temperature strong-coupling expansions for the
SU(N) Hubbard model in powers of $\ensuremath{\beta}t, w=exp(\ensuremath{-}\ensuremath{\beta}U)$ and $\frac{1}{\ensuremath{\beta}U}$ for arbitrary filling. The expansions are done in the grand canonical ensemble and are most useful at a density of one particle per site, where for
U larger than or of order of the bandwidth, the expansions converge over a wide temperature range ${t}^{2}/U\phantom{\rule{4pt}{0ex}}\ensuremath{\lesssim}\phantom{\rule{4pt}{0ex}}T\phantom{\rule{4pt}{0ex}}\ensuremath{\lesssim}\phantom{\rule{4pt}{0ex}}10U$. By taking the limit $w\ensuremath{\rightarrow}0$, valid at temperatures much less than
U, the expansions turn into a high-temperature expansion for a dressed
SU(N) Heisenberg model that includes nearest-neighbor exchange, further neighbor exchanges, and ring exchanges known from the
T=0 perturbation theory of the SU(2) Hubbard model. Below a filling of one particle per site, the $w\ensuremath{\rightarrow}0$ limit corresponds to an effective $t\text{\ensuremath{-}}J$ model. The onset of strong correlations can be identified by a plateaulike behavior in the entropy as a function of temperature. At small deviations from one particle per site, the expansions can be arranged in powers of a small parameter $\ensuremath{\delta}=1\ensuremath{-}n$, the deviation from one particle per site, where the leading $\ensuremath{\beta}t$-dependent terms correspond to holes sloshing around in a disordered
SU(N) background. We use these expansions to calculate the thermodynamic properties of the model at moderate and high temperatures over a wide parameter range.
These lecture notes introduce quantum spin systems and several computational methods for studying their ground-state and finite-temperature properties. Symmetry-breaking and critical phenomena are first discussed in the simpler setting of Monte Carlo studies of classical spin systems, to illustrate finite-size scaling at continuous and first-order phase transitions. Exact diagonalization and quantum Monte Carlo (stochastic series expansion) algorithms and their computer implementations are then discussed in detail. Applications of the methods are illustrated by results for some of the most essential models in quantum magnetism, such as the S=1/2 Heisenberg antiferromagnet in one and two dimensions, as well as extended models useful for studying quantum phase transitions between antiferromagnetic and magnetically disordered states.
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.