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arXiv:cond-mat/9901326 · Physical review. B, Condensed matter

Doped bilayer antiferromagnets: Hole dynamics on both sides of a magnetic ordering transition

Matthias Vojta C, K. W. Becker

Published Dec 1, 1999• 33 citations
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Abstract

The two-layer square lattice quantum antiferromagnet with spins $\frac{1}{2}$ 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.

DOI
10.1103/physrevb.60.15201

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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−Jt\ensuremath{-}Jt\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±\else\textpm\fi\ensuremathπ/2,\ifmmode±\else\textpm\fi\ensuremathπ/2).(\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2,\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2).(\ifmmode±\else\textpm\fi\ensuremathπ/2,\ifmmode±\else\textpm\fi\ensuremathπ/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 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 dynamics of charge carriers in lattices of quantum spins is a long standing and fundamental problem. Recently, a new generation of quantum simulation experiments based on atoms in optical lattices has emerged that gives unprecedented insights into the detailed spatial and temporal dynamics of this problem, which compliments earlier results from condensed matter experiments. Focusing on observables accessible in these new experiments, we explore here the equilibrium as well as nonequilibrium dynamics of a mobile hole in two coupled antiferromagnetic spin lattices. Using a self-consistent Born approximation, we calculate the spectral properties of the hole in the bilayer and extract the energy bands of the quasiparticles, corresponding to magnetic polarons that are either symmetric or antisymmetric under layer exchange. These two kinds of polarons are degenerate at certain momenta due to the antiferromagnetic symmetry, and we, furthermore, examine how the momentum of the ground-state polaron depends on the interlayer coupling strength. The long time dynamics of a hole initially created in one layer is shown to be characterized by oscillations between the two layers with a frequency given by the energy difference between the symmetric and the antisymmetric polaron. We finally demonstrate that the expansion velocity of a hole initially created at a given lattice site is governed by the ballistic motion of polarons for long times, and that it increases as a quantum phase transition to a disordered state is approached. While our linear spin wave theory does not include interlayer dimer correlations important close to the phase transition, this speedup is a physically robust prediction as it reflects the decreasing energy cost of hopping when the magnetic order decreases.
The motion of a single hole in a $t\ensuremath{-}J$ model for the two-dimensional spin-gap compound SrCu2(BO3)2{\mathrm{SrCu}}_{2}({\mathrm{BO}}_{3}{)}_{2}SrCu2​(BO3​)2​ is investigated. The undoped Heisenberg model for this system has an exact dimer eigenstate and shows a phase transition between a dimerized and a N\'eel phase at a certain ratio of the magnetic couplings. We calculate the photoemission spectrum in the disordered phase using a generalized spin-polaron picture. By varying the interdimer hopping parameters we find a crossover between a narrow quasiparticle band regime known from other strongly correlated systems and free-fermion behavior. The hole motion in the N\'eel-ordered phase is also briefly considered.
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 present an exact diagonalization study of bilayer clusters of the t-J model. Our results indicate a crossover between two markedly different regimes which occurs when the ratio ${\mathit{J}}_{\mathrm{\ensuremath{\perp}}}$/J between interlayer and intralayer exchange constants increases: for small ${\mathit{J}}_{\mathrm{\ensuremath{\perp}}}$/J the data suggest the development of three-dimensional antiferromagnetic correlations without appreciable degradation of the intralayer spin order and the dx2{\mathit{d}}_{\mathit{x}}^{2}dx2​-y2{\mathit{y}}^{2}y2 hole pairs within the planes persist. For larger values of ${\mathit{J}}_{\mathrm{\ensuremath{\perp}}}$/J local singlets along the interlayer bonds dominate, leading to an almost complete suppression of the intralayer spin correlation and the breaking of the intralayer hole pairs. The ground state with two holes in this regime has s-like symmetry. We present data for static spin correlation function, magnetic structure factor, and spin gap. We calculate the momentum distribution and electronic spectral function of the ``local singlet state'' realized for large ${\mathit{J}}_{\mathrm{\ensuremath{\perp}}}$/J, and show that it deviates markedly from that of a single layer, making it an implausible candidate for modeling high-temperature superconductors.
The understanding of matter does not only require a precise analysis of individual characteristics of the fundamental constituents, but also the study of their collective behavior.Solid state physics, and in particular research in strongly correlated electron systems, deals with such collective phenomena.The properties of the electrons, charge and spin quantum numbers, do not on their own explain the rich world of states of matter, however mutual interactions lead to various states or phases of matter.This work focuses on phases in quantum spin systems.On the basis of the Heisenberg model one (1D) and two dimensional (2D) spin lattices are investigated.In a first part the bilayer Heisenberg Model and the 2D Kondo necklace model are studied.Both models exhibit a quantum phase transition between an ordered and disordered phase.For small interlayer couplings the models have antiferromagnetic long-range order, which is destroyed by increasing the coupling.However, even in the disordered phase the models show global features in terms of collective excitations called magnons.Coming from the disordered phase the gapped magnons condense at a critical coupling and form the order of the ordered phase.Here, another interesting question arises, namely that of the coupling of a single doped hole to such critical fluctuations.A self-consistent Born approximation predicts that the doped hole couples to the magnons such that the quasiparticle residue vanishes at the quantum critical point.In this work the delicate question about the fate of the quasiparticle residue across the quantum phase transition is also tackled by means of large scale quantum Monte Carlo simulations.Furthermore the dynamics of a single hole doped in the magnetic background is investigated.