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arXiv:1710.01396 · Physical review. B./Physical review. B

Orbital effect of the magnetic field in dynamical mean-field theory

Shaheen Acheche, Louis-François Arsenault, A.–M. S. Tremblay

Published Dec 21, 2017• 14 citations
arXivHTMLPDF

Abstract

The availability of large magnetic fields at international facilities and of simulated magnetic fields that can reach the flux-quantum-per-unit-area level in cold atoms calls for systematic studies of orbital effects of the magnetic field on the self-energy of interacting systems. Here we demonstrate theoretically that orbital effects of magnetic fields can be treated within single-site dynamical mean-field theory with a translationally invariant quantum impurity problem. As an example, we study the one-band Hubbard model on the square lattice using iterated perturbation theory as an impurity solver. We recover the expected quantum oscillations in the scattering rate, and we show that the magnetic fields allow the interaction-induced effective mass to be measured through the single-particle density of states accessible in tunneling experiments. The orbital effect of magnetic fields on scattering becomes particularly important in the Hofstadter butterfly regime.

DOI
10.1103/physrevb.96.235135

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The availability of large magnetic fields at international facilities and of simulated magnetic fields that can reach the flux-quantum-per-unit-area level in cold atoms calls for systematic studies of orbital effects of the magnetic field on the self-energy of interacting systems. Here we demonstrate theoretically that orbital effects of magnetic fields can be treated within single-site dynamical mean-field theory with a translationally invariant quantum impurity problem. As an example, we study the one-band Hubbard model on the square lattice using iterated perturbation theory as an impurity solver. We recover the expected quantum oscillations in the scattering rate, and we show that the magnetic fields allow the interaction-induced effective mass to be measured through the single-particle density of states accessible in tunneling experiments. The orbital effect of magnetic fields on scattering becomes particularly important in the Hofstadter butterfly regime.
Calculation of conductivity in the Hubbard model is a challenging task. Recent years have seen much progress in this respect and numerically exact solutions are now possible in certain regimes. In this paper we discuss the calculation of conductivity for the square lattice Hubbard model in the presence of a perpendicular magnetic field, focusing on orbital effects. We present the relevant formalism in all detail and in full generality, and then discuss the simplifications that arise at the level of the dynamical mean field theory (DMFT). We prove that the Kubo bubble preserves gauge and translational invariance, and that in the DMFT the vertex corrections cancel regardless of the magnetic field. We present the DMFT results for the spectral function and both the longitudinal and Hall conductivity in several regimes of parameters. We analyze thoroughly the quantum oscillations of the longitudinal conductivity and identify a high-frequency oscillation component, arising as a combined effect of scattering and temperature.
An investigation is presented of the utility of semiclassical approximations for solving the quantum-impurity problems arising in the dynamical-mean-field approach to correlated-electron models. The method is based on performing an exact numerical integral over the zero-Matsubara-frequency component of the spin part of a continuous Hubbard-Stratonovich field, along with a spin-field-dependent steepest descent treatment of the charge part. We test this method by applying it to one- or two-site approximations to the single-band Hubbard model with different band structures, and comparing the results to quantum Monte Carlo and simplified exact diagonalization calculations. The resulting electron self-energies, densities of states, and magnetic transition temperatures show reasonable agreement with the quantum Monte Carlo simulation over wide parameter ranges, suggesting that the semiclassical method is useful for obtaining a reasonable picture of the physics in situations where other techniques are too expensive.
Think globally, act locally. Summary Dynamical mean-field theory is designed to treat systems with local effective interactions that are strong compared with the independent-particle terms that lead to delocalized band-like states. Interactions are taken into account by a many-body calculation for an auxiliary system, a site embedded in a dynamical mean field, that is chosen to best represent the coupling to the rest of the crystal. The methods are constructed to be exact in three limits: interacting electrons on isolated sites, a lattice with no interactions, and the limit of infinite dimensions d → ∞ where mean-field theory is exact. This chapter is devoted to the general formulation, the single-site approximation where the calculation of the self-energy is mapped onto a self-consistent quantum impurity problem, and instructive examples for the Hubbard model on a d → ∞ Bethe lattice. Further developments and applications are the topics of Chs. 17–21. One of the most rewarding features of condensed matter theory is the ability to address difficult problems from different points of view. The preceding Chs. 9–15 present an approach based on perturbation expansions in the Coulomb interaction. In particular, the GW approximation for the self-energy has proven to be extremely successful in describing electronic spectra of many materials, as described in Ch. 13. The methods can be applied to the ordered states of materials with d and f states, for example, ferromagnetic Ni and anti-ferromagnetic NiO, as described in Secs. 13.4 and 20.7. However, the GW and related approximations have difficulties in treating cases with degenerate or nearly degenerate states and low-energy excitations. Present-day methods do not describe phenomena like the fluctuations of local moments in a ferromagnetic material above the Curie temperature or the insulating character of NiO in the paramagnetic phase; more generally, they have difficulty describing strong correlation. The topic of this chapter and Chs. 17–21 is dynamical mean-field theory, which is also a Green's function method in which the key quantity is the self-energy. However, it is designed to treat strong interactions for electrons in localized atomic-like states, such as the d and f states in transition metals, lanthanide and actinide elements and compounds.
The authors study here electrical conductivity in the Hubbard model on a square lattice in a perpendicular magnetic field. They present the formalism in full detail, and perform extensive dynamical mean field theory (DMFT) calculations to scan the phase diagram. They show that the vertex corrections cancel within DMFT, and that reliable results can be obtained even from the zero-field self-energy. The dc conductivity exhibits Shubnikov--de Haas quantum oscillations as well asrecently observed Brown-Zak oscillations.
This work deals with the calculation of magnetic properties for strongly correlated electron systems. One of most important model in this field of physics is the Hubbard model. It describes the situation of, for example, transition metal oxides. This particular class of materials is known for magnetic order at low temperatures. The reason for this and at the same time the difficulty for theoretically describing them are strong electron-electron-interactions. For calculating the magnetic properties I used the dynamical mean field theory (DMFT), which relates the lattice model to an impurity model. Even this simplified model is highly non trivial. For solving it I used two different renormalization group approaches. I used the numerical renormalization group (NRG) and the density matrix renormalization group (DMRG) and also compared both methods with each other. These modern non-perturbative techniques are able to solve the impurity model, which then can be used for calculating the magnetic phases of the lattice models. In this work I mainly focused on the frustrated one-orbital Hubbard model and the two-orbital Hubbard model. Frustration represents a situation where the aimed magnetic solution cannot be stabilized for the used lattice. Frustration can, for example, be generated by long range hopping of the electrons. This can lead to a situation where new magnetic phases are stable. For systematically analyzing the effects of frustration, I performed calculations for a Bethe lattice with nearest and next nearest neighbor hopping, for which I varied the strength of the interaction and the next nearest neighbor hopping. Another very important aspect for describing transition metal oxides are orbital degrees of freedom. For analyzing the influence of these degrees of freedom I used the two-orbital Hubbard model, which shows new effects.
We develop a fast impurity solver which is based on the combination of Hubbard-I approximation and hybridization expansion continuous-time quantum Monte Carlo algorithm. This solver inherits the advantages of both algorithms. In order to demonstrate the power and usefulness of this solver, we use it to study the magnetic phase transitions of single-band and two-band Hubbard models in the framework of single-site dynamical mean-field theory. The calculated results agree well with those obtained by hybridization expansion quantum impurity solver. It is suggested that this solver is very suitable to solve the multi-orbital quantum impurity models efficiently and can be used to study more realistic systems with magnetic long-range order in the future.