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Dynamics of a single exciton in strongly correlated bilayers

Rademaker, L., Wu, K., Jan Zaanen

Published Jan 1, 2012• 8 citations
OpenAlex

Abstract

We formulated an effective theory for a single interlayer exciton in a bilayer quantum antiferromagnet, in the limit that the holon and doublon are strongly bound onto one interlayer rung by the Coulomb force. Upon using a rung linear spin wave approximation of the bilayer Heisenberg model, we calculated the spectral function of the exciton for a wide range of the interlayer Heisenberg coupling α = J⊥/Jz. In the disordered phase at large α, a coherent quasiparticle peak appears representing free motion of the exciton in a spin singlet background. In the N´eel phase, which applies to more realistic model parameters, a ladder spectrum arises due to Ising confinement of the exciton. The exciton spectrum is visible in measurements of the dielectric function, such as c-axis optical conductivity measurements.

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We formulated an effective theory for a single interlayer exciton in a bilayer quantum antiferromagnet, in the limit that the holon and doublon are strongly bound onto one interlayer rung by the Coulomb force. Upon using a rung linear spin wave approximation of the bilayer Heisenberg model, we calculated the spectral function of the exciton for a wide range of the interlayer Heisenberg coupling α = J⊥/Jz. In the disordered phase at large α, a coherent quasiparticle peak appears representing free motion of the exciton in a spin singlet background. In the N´eel phase, which applies to more realistic model parameters, a ladder spectrum arises due to Ising confinement of the exciton. The exciton spectrum is visible in measurements of the dielectric function, such as c-axis optical conductivity measurements.
We formulated an effective theory for a single interlayer exciton in a bilayer quantum antiferromagnet, in the limit when the holon and doublon are strongly bound onto one interlayer rung by the Coulomb force. Upon using a rung linear spin-wave approximation of the bilayer Heisenberg model, we calculated the spectral function of the exciton for a wide range of the interlayer Heisenberg coupling α = J ⊥ / Jz . In the disordered phase at large α , a coherent quasi-particle peak appears, representing free motion of the exciton in a spin singlet background. In the Néel phase, which applies to more realistic model parameters, a ladder spectrum arises due to Ising confinement of the exciton. The exciton spectrum is visible in measurements of the dielectric function, such as c -axis optical conductivity measurements.
We study single-hole dynamics in the bilayer Heisenberg and Kondo necklace models. Those models exhibit a magnetic order-disorder quantum phase transition as a function of the interlayer coupling ${J}_{\ensuremath{\perp}}$. At strong coupling in the disordered phase, both models have a single-hole dispersion relation with band maximum at $\mathbit{p}=(\ensuremath{\pi},\ensuremath{\pi})$ and an effective mass at this $\mathbit{p}$ point which scales as the hopping matrix element ttt. In the Kondo necklace model, we show that the effective mass at $\mathbit{p}=(\ensuremath{\pi},\ensuremath{\pi})$ remains finite for all considered values of ${J}_{\ensuremath{\perp}}$ such that the strong-coupling features of the dispersion relation are apparent down to weak coupling. In contrast, in the bilayer Heisenberg model, the effective mass diverges at a finite value of ${J}_{\ensuremath{\perp}}$. This divergence of the effective mass is unrelated to the magnetic quantum phase transition, and at weak coupling the dispersion relation maps onto that of a single hole doped in a planar antiferromagnet with band maximum at $\mathbit{p}=(\ensuremath{\pi}∕2,\ensuremath{\pi}∕2)$. We equally study the behavior of the quasiparticle residue in the vicinity of the magnetic quantum phase transition both for a mobile and static hole. In contrast to analytical approaches, our numerical results do not unambiguously support the fact that the quasiparticle residue of the static hole vanishes in the vicinity of the critical point. The above results are obtained with a generalized version of the loop algorithm to include single-hole dynamics on lattice sizes up to $20\ifmmode\times\else\texttimes\fi{}20$.
The two-layer square lattice quantum antiferromagnet with spins 12\frac{1}{2}21​ shows a magnetic order-disorder transition at a critical ratio of the interplane to intraplane couplings. We investigate the dynamics of a single hole in a bilayer antiferromagnet described by a $t\ensuremath{-}J$ Hamiltonian. To model the spin background we propose a ground-state wave function for the undoped system that covers both magnetic phases and includes transverse as well as longitudinal spin fluctuations. The photoemission spectrum is calculated using the spin-polaron picture for the whole range of the ratio of the magnetic couplings. This allows for the study of the hole dynamics on both sides of the magnetic order-disorder transition. For small interplane coupling we find a quasiparticle with properties known from the single-layer antiferromagnet, e.g., the dispersion minimum is at $(\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2,\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2).$ For large interplane coupling the hole dispersion is similar to that of a free fermion (with reduced bandwidth). The crossover between these two scenarios occurs inside the antiferromagnetic phase, which indicates that the hole dynamics is governed by the local environment of the hole.
We studied the possibility of exciton condensation in Mott insulating bilayers. In these strongly correlated systems, an exciton is the bound state of a double occupied and empty site. In the strong coupling limit, the exciton acts as a hard-core boson. Its physics is captured by the exciton ttt-JJJ model, containing an effective XXZXXZXXZ model describing the exciton dynamics only. Using numerical simulations and analytical mean-field theory, we constructed the ground-state phase diagram. Three homogeneous phases can be distinguished: the antiferromagnet, the exciton checkerboard crystal, and the exciton superfluid. For most model parameters, however, we predict macroscopic phase separation between these phases. The exciton superfluid exists only for large exciton hopping energy. Additionally, we studied the collective modes and susceptibilities of the three phases. In the superfluid phase, we find the striking feature that the bandwidth of the spin-triplet excitations, potentially detectable by resonant inelastic x-ray scattering (RIXS), is proportional to the superfluid density. The superfluid phase mode is visible in the charge susceptibility, measurable by RIXS or electron energy loss spectroscopy (EELS).
Adding a dopant to an antiferromagnetic spin background disturbs the magnetic order and leads to the formation of a quasiparticle coined the magnetic polaron, which plays a central role in understanding strongly correlated materials. Recently, remarkably detailed insights into the spatial properties of such polarons have been obtained using atoms in optical lattices. Motivated by this we develop a nonperturbative scheme for calculating the wave function of the magnetic polaron in a bilayer antiferromagnet using the self-consistent Born approximation. The scheme includes an infinite number of spin waves, which is crucial for an accurate description of the most interesting regime of strong correlations. Utilizing the developed wave function, we explore the spatial structure of the polaron dressing cloud consisting of magnetically frustrated spins surrounding the hole. Mimicking the nonmonotonic behavior of the antiferromagnetic order, we find that the dressing cloud first decreases and then increases in size with increasing interlayer hopping. The increase reflects the decrease in the magnetic order as a quantum phase transition to a disordered state is approached for large interlayer hopping. We, furthermore, find that the symmetry of the ground state dressing cloud changes as the interlayer coupling increases. Our results should be experimentally accessible using quantum simulation with optical lattices.
We develop a nonequilibrium multi-orbital extension of the two-particle self-consistent theory and apply it to the bilayer Hubbard model as a minimal platform to investigate correlation effects in the presence of interlayer interactions and tunneling. The method determines vertex corrections in the spin and charge channels self-consistently at the two-particle level, thereby avoiding the spurious finite-temperature phase transitions that limit dynamical mean-field theory in two dimensions. We derive the spectral self-energy and implement the framework directly on the real-frequency axis within the Keldysh nonequilibrium Green's function formalism, enabling the treatment of both equilibrium and non-equilibrium steady states without relying on numerical analytic continuation. As an application, we demonstrate that a pseudogap can emerge in the bilayer Hubbard model when spin, charge, or excitonic fluctuations become sufficiently strong. Instabilities in different channels are also evaluated in an unbiased manner across the parameter space. Remarkably, we find that the excitonic susceptibility grows with increasing interlayer bias, before it gets suppressed at large biases by the charge imbalance between the layers. This work establishes a versatile and computationally efficient framework for investigating correlated multi-orbital systems under nonequilibrium conditions.