We derive and investigate numerically a minimal yet detailed spin-polaron model that describes lightly doped CuO2 layers. The low-energy physics of a hole is studied by total-spin-resolved exact diagonalization on clusters of up to 32 CuO2 unit cells, revealing features missed by previous studies. In particular, spin-polaron states with total spin 3/2 are the lowest eigenstates in some regions of the Brillouin zone. In these regions, and also at other points, the quasiparticle weight is identically zero indicating orthogonal states to those represented in the one electron Green's function. This highlights the importance of the proper treatment of spin fluctuations in the many-body background.
We derive and investigate numerically a minimal yet detailed spin-polaron model that describes lightly doped CuO2 layers. The low-energy physics of a hole is studied by total-spin-resolved exact diagonalization on clusters of up to 32 CuO2 unit cells, revealing features missed by previous studies. In particular, spin-polaron states with total spin 3/2 are the lowest eigenstates in some regions of the Brillouin zone. In these regions, and also at other points, the quasiparticle weight is identically zero indicating orthogonal states to those represented in the one electron Green's function. This highlights the importance of the proper treatment of spin fluctuations in the many-body background.
Comment on "High-Spin Polaron in Lightly Doped CuO2 Planes"
In a recent Letter (Phys. Rev. Lett. 106, 036401 (2011)), Lau, et al. investigated the single hole problem in an effective model containing Cu d and O 2p orbitals by exact diagonalization on clusters composed of 32 CuO2 unit cells. With full quantum fluctuations due to the antiferromagnetic (AFM) backgroud, they found that spin-polaron solutions with spin 3/2 become lowest energy solutions in certain region of Brillouin zone (BZ), which they claimed no similiar solutions were obtained in other models or approximations before. In this Comment, we would like to point out that such high-spin polaron solutions have been found in our previous Letter (Phys. Rev. Lett. 91, 057001, (2003)) and many of features described by Lau et al. have in fact been seen in our Letter.
This work is a series of reports on progress in the description of electron-electron and electron-lattice interactions in transition-metal oxides, with an emphasis to the class of high-Tc superconducting cuprates. Combinations of numerical and analytical approaches were devised and developed to study large-scale models, which distinguish cation and anion sites of the realistic lattice structure. The many results range from incremental deviation to significant difference compared to those of the widely-accepted simple models without such distinction. A previously proposed numerical scheme and a perturbation approach were adapted to study the one-dimensional breathing-mode model, which describes a charge carrier interacting with vibrating anions. The effort yielded the first accurate benchmark result for all parameters values of the model. Based on a physical insight about the spin-1/2 Heisenberg antiferromagnet on a two-dimensional square lattice, an octapartite approach was devised to model the low-energy states. The efficiency of the resulting numerical approach was showcased with the explicit solution to a record-breaking 64-spin torus. A spin-polaron model was derived to model holes injected into cuprate's quasi two-dimensional copper-oxygen layer. Total-spin-resolved exact diagonalization was performed for a single fermionic hole in a record-breaking cluster with 32 copper and 64 oxygen sites. The solutions revealed important physics missed by previous studies. The octapartite approach was then developed to solve the spin-polaron model with two extra holes in the same cluster. The accuracy and efficiency of the method were established. Enhanced singlet correlation between two holes was observed. The preliminary results justify the need for an in-depth study.
We extend the methods recently introduced [Phys. Rev. Lett. 106, 036401 (2011)] to investigate correlations between two spin-polarons in a quasi-two-dimensional CuO2 layer. The low-energy wave functions for two doped holes introduced in a half filled CuO2 plane with 32 copper and 64 oxygen sites are calculated explicitly using an efficient yet accurate truncation scheme to model the antiferromagnet background. The energetics and wave functions show that the charges form three spin-polarons and the spin is carried by a disturbance around the three spin-polaron core. The low-energy band results from the competition between the kinetic energy and a local attractive potential, which favors ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ states. Last, we point out features that are expected to be robust for larger systems.
Solid state physics, a very broad field in natural science, aims to explain physical properties of materials modeled as a many-body ensemble of the order of ∼ 10^23 interacting particles. For interacting metallic systems, one of the most powerful tools for unraveling the consequences of the collective interaction is the Fermi liquid theory. While still being an approximation, it excellently models many materials especially in the low-temperature and low-energy regime by treating themany-body problem as being equivalent to effectively non-interacting ”particles”, which is done by introducing the concept of quasiparticles. During the last few decades, several exotic phases of matter have been discovered, which originate from strong Coulomb interactions between the electrons, whose description is beyond the Fermi liquid theory. This thesis addresses the question of the validity of Fermi liquid theory once a single hole is introduced into an antiferromagnet with completely localized spins due to the strong interactions. Here, the most-studied case concerns the so-called 2D t − J model, which hosts a well-defined quasiparticle, the spin polaron. Focusing on a more tractable case, the t − Jz model without quantum spin fluctuations, we study the stability of the spin polaron solution once the nextnearest neighbor hopping t′ is introduced into the system. We focus on observations at the Γ-point and the X-point of systems with fixed Jz = 0.4t and varying t′ ∈ [−0.5t, 0.5t]. The model is numerically solved using exact diagonalization on finite-size lattices of up to 32 sites. A study of the quasiparticle weight under finite-size scaling reveals an “anomalous” regime at the Γ-point fort′ ≤ −0.3t, indicated by a vanishing quasiparticle weight. In order to characterize the low-energy dynamics within this “anomalous” regime, we investigated the spin correlation centered around the hole, as well as the magnon number distribution of a single-doped 20-site system. Based on the results, we present a preliminary picture of the antiferromagnetic ground state doped with one hole within that “anomalous” regime (t′ ≤ −0.3t) that deviates from the standard spin polaron as the cloud of magnetic fluctuations, typically localized around the hole, delocalizes over the whole finite-size lattice. Consequently, such systems show a weakly suppressed antiferromagnetic configuration under single-hole doping.
In this thesis, we investigated the spectral properties of polaronic quasiparticles resulting from the coupling of a charge carrier to the bosonic excitations of ordered environments. Holstein polarons, describing an electron locally coupled to dispersionless phonons, and spin polarons in hole-doped antiferromagnets are considered. The Green's function of the Holstein polaron in a lattice with various kinds of impurities is calculated using the momentum average approximation. The main finding is that the scenario where the mere effect of the coupling to phonons is to enhance the electron's effective mass is incomplete as the phonons are found to also renormalize the impurity potential the polaron interacts with. This formalism is applied first to the case of a single impurity and the range of parameters where the polaron's ground state is localized is identified. The lifetime of the polaron due to scattering from weak but extended disorder is then studied and it is shown that the renormalization of the disorder potential leads to deviation of the strong coupling results from Fermi's golden rule's predictions. Motivated by the hole-doped cuprate superconductors, the motion of a hole in a two-dimensional Ising antiferromagnet and its binding to an attractive impurity is studied next, based on a variational scheme that allows for configurations with a certain maximum number of spin flips. The role of the magnetic sublattices in determining the symmetry of the resulting bound states is discussed. Next, a more realistic model describing a hole in a CuO₂ layer which retains the O explicitly, is considered. By neglecting the fluctuations of the Cu spins and using a variational principle similar to that of the previous chapter, a semi-analytic solution for the Green's function of the hole in an infinite 2D lattice is constructed. The resulting quasiparticle dispersion shows the proper ground state and other features observed in experiments. The lack of importance of the background spin fluctuations is justified based on the hole's ability to move on the O sublattice without disturbing the Cu spins. Finally, the model is generalized to gauge the importance of other relevant O orbitals.
The physics of strongly correlated fermions described by Hubbard or t − J models in the underdoped regime—relevant for high-temperature superconductivity in cuprate compounds—remains a subject of ongoing debate. In particular, the nature of charge carriers in this regime is poorly understood, in part due to the unusual properties of their spectral function. In this Letter, we present unbiased numerical results for the one-hole spectral function in a t − J model at finite temperatures. Our study provides valuable insights into the underlying physics of magnetic (or spin-) polaron formation in a doped antiferromagnet (AFM). For example, we find how the suppression of spectral weight outside the magnetic Brillouin zone—a precursor of Fermi arc formation–disappears with increasing temperature, revealing nearly-deconfined spinon excitations of the undoped AFM. The pristine setting we consider can be directly explored using quantum simulators. Our calculations demonstrate that coherent quasiparticle peaks associated with magnetic polarons can be observed up to temperatures T > J above the spin-exchange J , routinely obtained in such experiments. This paves the way for future studies of the fate of magnetic polarons in the pseudogap phase.