We study the ground state properties of a single magnetic impurity in the honeycomb lattice. To understand the non-perturbative properties, we use the density matrix renormalization group method where the honeycomb lattice model is mapped onto an effective one-dimensional model by means of the Lanczos recursion technique. We apply this method to three different models: (i) a magnetic adatom on the honeycomb lattice, (ii) a substitutional magnetic impurity in the honeycomb lattice, and (iii) a defect in the honeycomb lattice. Here, we focus only on the particle-hole symmetric cases and find that the ground state of model (i) is qualitatively different from the others: the magnetic impurity spin behaves like an isolated spin in model (i) while it is screened in models (ii) and (iii) by conduction electrons to form a Kondo singlet like state.
We study the ground state properties of a single magnetic impurity in the honeycomb lattice. To understand the non-perturbative properties, we use the density matrix renormalization group method where the honeycomb lattice model is mapped onto an effective one-dimensional model by means of the Lanczos recursion technique. We apply this method to three different models: (i) a magnetic adatom on the honeycomb lattice, (ii) a substitutional magnetic impurity in the honeycomb lattice, and (iii) a defect in the honeycomb lattice. Here, we focus only on the particle-hole symmetric cases and find that the ground state of model (i) is qualitatively different from the others: the magnetic impurity spin behaves like an isolated spin in model (i) while it is screened in models (ii) and (iii) by conduction electrons to form a Kondo singlet like state.
We introduce a block Lanczos (BL) recursive technique to construct quasi-one-dimensional models, suitable for density-matrix renormalization group (DMRG) calculations, from single- as well as multiple-impurity Anderson models in any spatial dimensions. This new scheme, named BL-DMRG method, allows us to calculate not only local but also spatially dependent static and dynamical quantities of the ground state for general Anderson impurity models without losing elaborate geometrical information of the lattice. We show that the BL-DMRG method can be easily extended to treat a multiorbital Anderson impurity model where not only inter- and intraorbital Coulomb interactions but also Hund's coupling and pair hopping interactions are included. We also show that the symmetry adapted BL bases can be utilized, when it is appropriate, to reduce the computational cost. As a demonstration, we apply the BL-DMRG method to three different models for graphene with a structural defect and with a single hydrogen or fluorine absorbed, where a single Anderson impurity is coupled to conduction electrons in the honeycomb lattice. These models include (i) a single adatom on the honeycomb lattice, (ii) a substitutional impurity in the honeycomb lattice, and (iii) an effective model for a single carbon vacancy in graphene. Our analysis of the local dynamical magnetic susceptibility and the local density of states at the impurity site reveals that, for the particle-hole symmetric case at half-filling of electron density, the ground state of model (i) behaves as an isolated magnetic impurity with no Kondo screening, while the ground state of the other two models forms a spin-singlet state where the impurity moment is screened by the conduction electrons. We also calculate the real-space dependence of the spin-spin correlation functions between the impurity site and the conduction sites for these three models. Our results clearly show that, reflecting the presence or absence of unscreened magnetic moment at the impurity site, the spin-spin correlation functions decay as $\ensuremath{\propto}$ ${r}^{\ensuremath{-}3}$, differently from the noninteracting limit ($\ensuremath{\propto}$ ${r}^{\ensuremath{-}2}$), for model (i) and as $\ensuremath{\propto}$ ${r}^{\ensuremath{-}4}$, exactly the same as the noninteracting limit, for models (ii) and (iii) in the asymptotic r, where r is the distance between the impurity site and the conduction site. Finally, based on our results, we shed light on recent experiments on graphene where the formation of local magnetic moments as well as the Kondo-like behavior have been observed.
We present an extensive study of the two-impurity Kondo problem for spin-1 adatoms on a square lattice using an exact canonical transformation to map the problem onto an effective one-dimensional system that can be numerically solved using the density matrix renormalization group method. We provide a simple intuitive picture and identify the different regimes, depending on the distance between the two impurities, Kondo coupling JK, longitudinal anisotropy D, and transverse anisotropy E. In the isotropic case, two impurities on opposite (the same) sublattices have a singlet (triplet) ground state. However, the energy difference between the triplet ground state and the singlet excited state is very small and we expect an effectively fourfold-degenerate ground state, i.e., two decoupled impurities. For large enough JK the impurities are practically uncorrelated forming two independent underscreened states with the conduction electrons, a clear nonperturbative effect. When the impurities are entangled in an RKKY-like state, Kondo correlations persist and the two effects coexist: the impurities are underscreened, and the dangling spin-1/2 degrees of freedom are responsible for the interimpurity entanglement. We analyze the effects of magnetic anisotropy in the development of quasiclassical correlations.
The density matrix renormalization group method is introduced in energy space to study Anderson impurity models. The method allows for calculations in the thermodynamic limit and is advantageous for studying not only the dynamical properties, but also the quantum entanglement of the ground state at the vicinity of an impurity quantum phase transition. This method is applied to obtain numerically exactly the ground-state phase diagram of the single-impurity Anderson model on the honeycomb lattice at half-filling. The calculation of local static quantities shows that the phase diagram contains two distinct phases, the local moment (LM) phase and the asymmetric strong coupling (ASC) phase, but no Kondo screening phase. These results are supported by the local spin and charge excitation spectra, which exhibit qualitatively different behavior in these two phases and also reveal the existence of the valence fluctuating point at the phase boundary. For comparison, we also study the low-energy effective pseudogap Anderson model using the method introduced here. Although the high-energy excitations are obviously different, we find that the ground-state phase diagram and the asymptotically low-energy excitations are in good quantitative agreement with those for the single-impurity Anderson model on the honeycomb lattice, thus providing a quantitative justification for the previous studies based on low-energy approximate approaches. Furthermore, we find that the lowest entanglement level is doubly degenerate for the LM phase, whereas it is singlet for the ASC phase and is accidentally threefold degenerate at the valence fluctuating point. This should be contrasted with the degeneracy of the energy spectrum because the ground state is found to be always singlet. Our results therefore clearly demonstrate that the low-lying entanglement spectrum can be used to determine with high accuracy the phase boundary of the impurity quantum phase transition.
A magnetic moment in a metal or in a quantum dot is, at low temperatures, screened by the conduction electrons through the mechanism of the Kondo effect. This gives rise to spin-spin correlations between the magnetic moment and the conduction electrons, which can have a substantial spatial extension. We study this phenomenon, the so-called Kondo cloud, by means of the density matrix renormalization group method for the case of the single-impurity Anderson model. We focus on the question whether the Kondo screening length, typically assumed to be proportional to the inverse Kondo temperature, can be extracted from the spin-spin correlations. For several mechanisms---the gate potential and a magnetic field---which destroy the Kondo effect, we investigate the behavior of the screening cloud induced by these perturbations.
A magnetic moment in a metal or in a quantum dot is, at low temperatures, screened by the conduction electrons through the mechanism of the Kondo effect. This gives rise to spin-spin correlations between the magnetic moment and the conduction electrons, which can have a substantial spatial extension. We study this phenomenon, the so-called Kondo cloud, by means of the density matrix renormalization group method for the case of the single-impurity Anderson model. We focus on the question whether the Kondo screening length, typically assumed to be proportional to the inverse Kondo temperature, can be extracted from the spin-spin correlations. For several mechanisms -- the gate potential and a magnetic field -- that destroy the Kondo effect, we investigate the behavior of the screening cloud induced by these perturbations.
Impurity models describe localized impurities interacting with the spins of electrons. Strong correlations lead to non-trivial behaviours of the model. In this work we present 3 different impurity models: (1) the single-impurity Kondo model; (2) the two-impurity Kondo model; (3) the two-channel Kondo model. For each model we present a spin chain emulation and utilize the density matrix renormalization group (DMRG). We study the magnetization and zero-temperature susceptibility of the impurity when a local magnetic field is applied. We get the expected relations theoretically.