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arXiv:2406.17846

Dynamical Spectral Weight Transfer in the Orbital HK Model

Gaurav Tenkila, Jinchao Zhao, Philip Phillips

Published Jun 25, 2024• 0 citations
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Abstract

We compute explicitly the low-energy spectral weight (LESW) in the lower Hubbard band using the orbital Hatsugai-Kohmoto (OHK) model. We show that the dynamical mixing enters the LESW with a universal slope independent of the number of orbitals. This independence on orbital number corroborates the rapid convergence of the OHK model to the Hubbard model. As a result, OHK is an effective simulator of Hubbard physics.

DOI
10.48550/arxiv.2406.17846

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We compute explicitly the low-energy spectral weight (LESW) in the lower Hubbard band using the orbital Hatsugai-Kohmoto (OHK) model. We show that the dynamical mixing enters the LESW with a universal slope independent of the number of orbitals. This independence on orbital number corroborates the rapid convergence of the OHK model to the Hubbard model. As a result, OHK is an effective simulator of Hubbard physics.
The shift in the spectral weight distribution under doping is termed the spectral weight transfer (SWT) and is a key indicator of strongly correlated physics. The static SWT (t=0t=0t=0) for doping fraction xxx scales as xxx for semiconductors and as 2x2x2x for Mott insulators. The SWT receives corrections in t/Ut/Ut/U due to the noncommutativity of the kinetic and interaction terms in the Hamiltonian, termed the dynamic SWT. We compute explicitly the low-energy spectral weight (LESW) in the lower Hubbard band using the orbital Hatsugai-Kohmoto (OHK) model. We show that the dynamical mixing enters the LESW with a universal slope independent of the number of orbitals. This independence on orbital number corroborates the rapid convergence of the OHK model to the Hubbard model. As a result, OHK is an effective simulator of Hubbard physics.
We show that the physics of the SU(NNN) Hubbard model can be realistically simulated with the recently developed orbital Hatsugai-Kohmoto model. In this approach, the momentum mixing absent from the band Hatsugai-Kohmoto model is included by grouping nnn-Hubbard atoms into a cluster. We take advantage of the rapid convergence of this scheme (1/n21/n^21/n2) and show that for n≈O(10)n\approx O(10)n≈O(10), quantitative agreement with the determinantal quantum Monte Carlo method arises for the double occupancy as well as qualitative agreement for the filling and compressibility across the Mott transition. Additional features of this work are that we can obtain low-temperature physics, which could be qualitatively different from its high-temperature counterpart, and dynamical quantities without resorting to analytical continuation, thereby establishing the orbital Hatsugai-Kohmoto model as a useful alternative perspective for studying strong correlations in SU(NNN) systems.
We develop here a general formalism for multiorbital Mott systems that can be used to understand dynamical and static spectral weight transfer. We find that the spectral weight transferred from the high-energy scales is greatly increased as a result of the multiorbital structure. As a consequence certainly dynamically generated symmetries are obtained at lower values of doping than in the single-band Hubbard model. For example, in the atomic limit for filling less than one electron per site, the particle-hole symmetric condition in the lower band shifts from the one-band result of x=1/3x=1/3x=1/3 to x=1/(2no+1)x=1/(2{n}_{o}+1)x=1/(2no​+1), where no{n}_{o}no​ is the number of orbitals with an unpaired spin. Transport properties computed from effective low-energy theories that forbid double occupancy of bare electrons, such as the multiorbital ttt-JJJ generalization, should all be be sensitive to this particle-hole symmetric condition. Away from the atomic limit, the dynamical contributions increase the transferred spectral weight. Consequently, any phenomena that are sensitive to an emergent particle-hole symmetry should be obtained at x<[1/(2no+1)]x<[1/(2{n}_{o}+1)]x<[1/(2no​+1)].
In this paper we study the spectral-weight transfer from the high- to the low-energy scale by means of exact diagonalization of finite clusters for the Mott-Hubbard and charge-transfer model. We find that the spectral-weight transfer is very sensitive to the hybridization strength as well as to the amount of doping. This implies that the effective number of low-energy degrees of freedom is a function of the hybridization and therefore of the volume and temperature. In this sense it is not possible to define a Hamiltonian which describes the low-energy-scale physics unless one accepts an effective nonparticle conservation.
Using strong-coupling perturbation theory for the Hubbard model, explicit expressions are obtained for the integrated weights, energy positions, and widths of the upper and lower Hubbard bands separately, both for the optical and photoemission spectrum. In one dimension all expressions can be explicitly evaluated using the large-U Bethe-ansatz wave function. The k\ensuremath{\rightarrow}-dependent moments for the one-particle spectrum are compared with the closely related two-pole ansatz. The strong momentum dependence of the spectra demonstrates the importance of the k\ensuremath{\rightarrow}-dependent correlation functions in the spectral moments, which are often neglected. In order to estimate corrections due to the neglect of higher-order terms (in t/U), all results are compared with numerical-diagonalization data for intermediate-U values. The sum-rule results show a rapid spectral-weight transfer from the high- to the low-energy regime upon doping, similar to what is observed experimentally in one-particle and optical spectra of Cu (high-Tc{\mathit{T}}_{\mathit{c}}Tc​) and Ni compounds. Such fast weight redistributions as a function of the carrier density are a natural consequence of the strong correlations in these materials. The redistribution of intensity in the optical conductivity is connected with the dilution of the spin system by the added holes. For the one-particle spectrum the decrease of weight in the upper Hubbard band away from half filling can be understood by state counting at U=\ensuremath{\infty}, and the effect is strongly enhanced for small doping by both the first- and second-order terms in t/U. Altogether, the one-particle and optical spectra show the importance of the three-site hopping term. Therefore the t-J model does not represent well the spectral properties of the Hubbard model at large U. The local spin order is essential and determines both the k\ensuremath{\rightarrow} dependence of the one-particle spectrum and the intensities in the optical spectrum.
A model to describe electronic correlations in energy bands is considered. The model is a generalization of the conventional Hubbard model that allows for the fact that the wave function for two electrons occupying the same Wannier orbital is different from the product of single-electron wave functions. We diagonalize the Hamiltonian exactly on a four-site cluster and study its properties as a function of band filling. The quasiparticle weight is found to decrease and the quasiparticle effective mass to increase as the electronic band filling increases, and spectral weight in one- and two-particle spectral functions is transferred from low to high frequencies as the band filling increases. Quasiparticles at the Fermi energy are found to be more ``dressed'' when the Fermi level is in the upper half of the band (hole carriers) than when it is in the lower half of the band (electron carriers). The effective interaction between carriers is found to be strongly dependent on band filling becoming less repulsive as the band filling increases and attractive near the top of the band in certain parameter ranges. The effective interaction is most attractive when the single-hole carriers are most heavily dressed, and in the parameter regime where the effective interaction is attractive, hole carriers are found to ``undress,'' hence become more like electrons, when they pair. It is proposed that these are generic properties of electronic energy bands in solids that reflect a fundamental electron-hole asymmetry of condensed matter. The relation of these results to the understanding of superconductivity in solids is discussed.