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arXiv:2310.11833 · Physical review. B./Physical review. B

Impact of disorder and phonons on the Hubbard bands of Mott insulators in strong electric fields

Tommaso Maria Mazzocchi, Daniel Werner, Enrico Arrigoni

Published Jan 10, 2024• 3 citations
arXivHTMLPDF

Abstract

We characterize the current-carrying nonequilibrium steady state (NESS) in a single-band Hubbard model confronted with a static electric field in the presence of quenched disorder. Beyond the linear response regime, the electric field amplitude must compensate for at least half of the band gap to have a non-negligible stationary current. As the disorder is not expected to dissipate the extra energy injected by the field, optical phonons assisted by a fermionic heat bath serve as dissipation channels for the current-induced Joule heat generated by the accelerated electrons. The NESS of the system is addressed employing the dynamical mean-field theory using the so-called auxiliary master equation approach as impurity solver. Disorder effects are treated locally via the coherent potential approximation (CPA) and the self-consistent Born (SCB) approach. In the regime in which the two schemes yield similar results, we employ the SCB as it is computationally cheaper than the CPA. We show that, in a purely electronic setup, the disorder-induced dephasing cannot contribute states within the gap but only smear out the edges of the Hubbard bands. When phonons are taken into account, the different nature of disorder-induced dephasing and phonon-related dissipation becomes clear. We show that although both disorder and electron-phonon interaction enhance the current at off-resonant fields, disorder effects play a marginal role since they cannot provide in-gap states which are instead brought about by phonons and represent the privileged relaxation pathway for excited electrons.

DOI
10.1103/physrevb.109.045119

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We characterize the current-carrying nonequilibrium steady state (NESS) in a single-band Hubbard model confronted with a static electric field in the presence of quenched disorder. Beyond the linear response regime, the electric field amplitude must compensate for at least half of the band gap to have a non-negligible stationary current. As the disorder is not expected to dissipate the extra energy injected by the field, optical phonons assisted by a fermionic heat bath serve as dissipation channels for the current-induced Joule heat generated by the accelerated electrons. The NESS of the system is addressed employing the dynamical mean-field theory using the so-called auxiliary master equation approach as impurity solver. Disorder effects are treated locally via the coherent potential approximation (CPA) and the self-consistent Born (SCB) approach. In the regime in which the two schemes yield similar results, we employ the SCB as it is computationally cheaper than the CPA. We show that, in a purely electronic setup, the disorder-induced dephasing cannot contribute states within the gap but only smear out the edges of the Hubbard bands. When phonons are taken into account, the different nature of disorder-induced dephasing and phonon-related dissipation becomes clear. We show that although both disorder and electron-phonon interaction enhance the current at off-resonant fields, disorder effects play a marginal role since they cannot provide in-gap states which are instead brought about by phonons and represent the privileged relaxation pathway for excited electrons.
We study the spectral and transport properties of a Mott insulator driven by a static electric field into a nonequilibrium steady state. For the dissipation, we consider two mechanisms: wide band fermion reservoirs and phonons included within the Migdal approximation. The electron correlations are treated via nonequilibrium dynamical mean field theory with an impurity solver suitable for strong correlations. We find that dissipation via phonons is limited to restricted ranges of field values around Wannier-Stark resonances. To cover the full range of field strengths, we allow for a small coupling with fermionic baths, which stabilizes the solution. When considering both dissipation mechanisms, we find that phonons enhance the current for field strengths close to half of the gap while lowering it at the gap resonance as compared to the purely electronic dissipation used by Murakami and Werner [Murakami and Werner, Phys. Rev. B 98, 075102 (2018)]. Once phonons are the only dissipation mechanism, the current in the metallic phase is almost one order of magnitude smaller than the typical values obtained by coupling to a fermionic bath. In this case, the transport regime is characterized by an accumulation of charge in the upper Hubbard band described by two effective chemical potentials.
We characterize the response of a Mott insulating system to a static electric field in terms of its conducting and spectral properties. Dissipation is included by a coupling to fermionic baths and to either optical or acoustic phonons. This paper extends and completes the analysis made in a previous work by the authors [Mazzocchi et al., Phys. Rev. B 106, 125123 (2022)]. In the present work, phonons are included diagrammatically within the Migdal approximation by also including self-consistency from the electronic feedback. The nonequilibrium steady state is addressed by means of the dynamical mean-field theory based on the nonequilibrium Green's function approach, while the so-called auxiliary master equation approach is employed as impurity solver. With optical phonons the self-consistency suppresses the steady-state current for field strengths comparable to the band gap with respect to the non-self-consistent case. This is due to the interaction of phonons with the hot electrons of the lattice which increases their temperature, thus providing a less effective relaxation channel for the current-induced Joule heat. In addition, in the case of optical phonons, the results are essentially independent of the temperature of the fermionic baths, as the latter is sensibly smaller than their characteristic frequency. On the other hand, with acoustic phonons the steady-state current is slightly suppressed by the self-consistent treatment only at field strengths close to half of the gap and especially at very small phonon frequency. Also, in this case, the results seem to slightly depend on the temperature of the fermionic baths.
This article aims to compare the so‐called iterated perturbation theory (IPT) and auxiliary master equation approach (AMEA) impurity solvers for a Mott insulating system driven out of equilibrium by a static electric field. Electronic heat bath and optical phonons are employed as dissipation mechanism of the current‐induced Joule heat that the excited electrons of the lattice experience as the result of the field's driving. Despite its simplicity, the IPT approach yields results that qualitatively are in good agreement with those obtained within the AMEA impurity solver, although fails to reproduce some correlation effects.
Quenched disorder in a solid state system can result in Anderson localization, where electrons are exponentially localized and the system behaves like an insulator. By solving exactly a disordered electronic lattice model out of equilibrium, we investigate the effect of a DC electric field on Anderson localization in an open system, and provide a minimal platform to study disorder-nonequilibrium interplay in electronic lattice systems. We perform steady-state Keldysh Green's function calculations on an infinite lattice with a finite-range of disorder-active region that are coupled to fermion reservoirs. Our solutions out of a fully electronic model verify Mott's temperature scaling of the variable-range-hopping transport and the Lifshitz tail, well-corroborated by the coherent-potential approximation. We further reveal that a nonequilibrium electronic lattice creates a statistical evolution that shows a counterintuitive shift of the distribution edge in the opposite direction of the band edge. The rich evolution of non-thermal statistics highlights the importance of an explicit band structure and the impurity correlations in strong nonequilibrium theories.
We study a model for photovoltaic energy collection consisting of a Mott-insulating layer in presence of acoustic phonons, coupled to two wide-band fermion leads at different chemical potentials and driven into a nonequilibrium steady state by a periodic electric field. We treat electron correlations with nonequilibrium dynamical mean-field theory using the so-called auxiliary master-equation approach as impurity solver and include dissipation by acoustic phonons via the Migdal approximation. For a small hybridization to the leads, we obtain a peak in the photocurrent as a function of the driving frequency which can be associated with impact ionization processes. For larger hybridizations the shallow peak suggests a suppression of impact ionization with respect to direct photovoltaic excitations. Acoustic phonons slightly enhance the photocurrent for small driving frequencies and suppress it at frequencies around the main peak at all considered hybridization strengths.
In this work, we explore the possibility of emergent nonequilibrium steady states arising from the electric-field-driven Mott insulator via the Keldysh-Floquet dynamical mean-field theory (DMFT), which can determine the fully interacting, nonequilibrium steady-state Green's functions with the noninteracting counterparts as an input to the DMFT self-consistency loop. Unlike the retarded component, obtaining the lesser Green's function for the noninteracting system presents an important obstacle since the thermalization of the noninteracting system still requires a precise understanding of the dissipation mechanism. A crucial breakthrough in this work is that the noninteracting lesser Green's function can be determined in terms of the Wannier-Stark ladder (WSL) eigenstates, which are thermalized via the standard canonical ensemble according to the Markovian quantum master equation. As a result, it is shown that the intricate interplay between strong correlation and large electric field can generate a sequence of two dielectric breakdowns with the first induced by a coherent reconstruction of the midgap state within the Mott gap and the second by an incoherent tunneling through the biased Hubbard bands. It is predicted that the reconstructed midgap state generates its own emergent WSL structure with a reduced effective electric field. The two dielectric breakdowns are mediated by a reentrant insulating phase, which is characterized by the population inversion, causing instability toward inhomogeneous current density states at weak electron-impurity scattering.