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Register a new userTowards a Topological Quantum Chemistry description of correlated systems: the case of the Hubbard diamond chain
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The recently introduced topological quantum chemistry (TQC) framework has provided a description of universal topological properties of all possible band insulators in all space groups based on crystalline unitary symmetries and time reversal. While this formalism filled the gap between the mathematical classification and the practical diagnosis of topological materials, an obvious limitation is that it only applies to weakly interacting systems-which can be described within band theory. It is an open question to which extent this formalism can be generalized to correlated systems that can exhibit symmetry protected topological phases which are not adiabatically connected to any band insulator. In this work we address the many facettes of this question by considering the specific example of a Hubbard diamond chain. This model features a Mott insulator, a trivial insulating phase and an obstructed atomic limit phase. Here we discuss the nature of the Mott insulator and determine the phase diagram and topology of the interacting model with infinite density matrix renormalization group calculations, variational Monte Carlo simulations and with many-body topological invariants. We then proceed by considering a generalization of the TQC formalism to Greens functions combined with the concept of topological Hamiltonian to identify the topological nature of the phases, using cluster perturbation theory to calculate the Greens functions. The results are benchmarked with the above determined phase diagram and we discuss the applicability and limitations of the approach and its possible extensions.
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Exact ground states of interacting electrons on the diamond Hubbard chain in a magnetic field are constructed which exhibit a wide range of properties such as flat-band ferromagnetism and correlation induced metallic, half-metallic or insulating behavior. The properties of these ground states can be tuned by changing the magnetic flux, local potentials, or electron density.
We consider a geometrically frustrated spin-1/2 Ising-Heisenberg diamond chain, which is an exactly solvable model when assuming part of the exchange interactions as Heisenberg ones and another part as Ising ones. A small $XY$ part is afterwards perturbatively added to the Ising couplings, which enabled us to derive an effective Hamiltonian describing the low-energy behavior of the modified but full quantum version of the initial model. The effective model is much simpler and free of frustration. It is shown that the $XY$ part added to the originally Ising interaction gives rise to the spin-liquid phase with continuously varying magnetization, which emerges in between the magnetization plateaus and is totally absent in the initial hybrid diamond-chain model. The elaborated approach can also be applied to other hybrid Ising-Heisenberg spin systems.
The aim of this review article is to assess the descriptive capabilities of the Hubbard-rooted LDA+U method and to clarify the conditions under which it can be expected to be most predictive. The paper illustrates the theoretical foundation of LDA+U and prototypical applications to the study of correlated materials, discusses the most relevant approximations used in its formulation, and makes a comparison with other approaches also developed for similar purposes. Open issues of the method are also discussed, including the calculation of the electronic couplings (the Hubbard U), the precise expression of the corrective functional and the possibility to use LDA+U for other classes of materials. The second part of the article presents recent extensions to the method and illustrates the significant improvements they have obtained in the description of several classes of different systems. The conclusive section finally discusses possible future developments of LDA+U to further enlarge its predictive power and its range of applicability.
The quantum phase diagram of the Hubbard chain with correlated hopping is accurately determined through jumps in $pi$ in the charge and spin Berry phases. The nature of each thermodynamic phase, and the existence of charge and spin gaps, is confirmed by calculating correlation functions and other fundamental quantities using numerical methods, and symmetry arguments. Remarkably we find striking similarities between the stable phases for moderate on-site Coulomb repulsion: spin Peierls, spin-density-wave and triplet superconductor, and those measured in (TMTSF)$_2$X.
We study the dynamical response of the half-filled one-dimensional(1d) Hubbard model for a range of interaction strengths $U$ and temperatures $T$ by a combination of numerical and analytical techniques. Using time-dependent density matrix renormalization group (tDMRG) computations we find that the single-particle spectral function undergoes a crossover to a spin-incoherent Luttinger liquid regime at temperatures $T sim J=4t^2/U$ for sufficiently large $U > 4t$. At smaller values of $U$ and elevated temperatures the spectral function is found to exhibit two thermally broadened bands of excitations, reminiscent of what is found in the Hubbard-I approximation. The dynamical density-density response function is shown to exhibit a finite temperature resonance at low frequencies inside the Mott gap, with a physical origin similar to the Villain mode in gapped quantum spin chains. We complement our numerical computations by developing an analytic strong-coupling approach to the low-temperature dynamics in the spin-incoherent regime.
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