Characterization of a correlated topological Kondo insulator in one dimension

We investigate the ground-state of a p-wave Kondo-Heisenberg model introduced by Alexandrov and Coleman with an Ising-type anisotropy in the Kondo interaction and correlated conduction electrons. Our aim is to understand how they affect the stability of the Haldane state obtained in the SU(2) symmetric case without the Hubbard interaction. By applying the density-matrix renormalization group algorithm and calculating the entanglement entropy we show that in the anisotropic case a phase transition occurs and a N\'eel state emerges above a critical value of the Coulomb interaction. These findings are also corroborated by the examination of the entanglement spectrum and the spin profile of the system which clarify the structure of each phase.Comment: 6 pages, 9 figure

Entanglement, excitations and correlation effects in narrow zigzag graphene nanoribbons

We investigate the low-lying excitation spectrum and ground-state properties of narrow graphene nanoribbons with zigzag edge configurations. Nanoribbons of comparable widths have been synthesized very recently [P. Ruffieux, \emph{et al.} Nature \textbf{531}, 489 (2016)], and their descriptions require more sophisticated methods since in this regime conventional methods, like mean-field or density-functional theory with local density approximation, fail to capture the enhanced quantum fluctuations. Using the unbiased density-matrix renormalization group algorithm we calculate the charge gaps with high accuracy for different widths and interaction strengths and compare them with mean-field results. It turns out that the gaps are much smaller in the former case due to the proper treatment of quantum fluctuations. Applying the elements of quantum information theory we also reveal the entanglement structure inside a ribbon and examine the spectrum of subsystem density matrices to understand the origin of entanglement. We examine the possibility of magnetic ordering and the effect of magnetic field. Our findings are relevant for understanding the gap values in different recent experiments and the deviations between them.Comment: 8 pages, 7 figures, revised version, accepted for publication in PR

Competition between Hund's coupling and Kondo effect in a one-dimensional extended periodic Anderson model

We study the ground-state properties of an extended periodic Anderson model to understand the role of Hund's coupling between localized and itinerant electrons using the density-matrix renormalization group algorithm. By calculating the von Neumann entropies we show that two phase transitions occur and two new phases appear as the hybridization is increased in the symmetric half-filled case due to the competition between Kondo-effect and Hund's coupling. In the intermediate phase, which is bounded by two critical points, we found a dimerized ground state, while in the other spatially homogeneous phases the ground state is Haldane-like and Kondo-singlet-like, respectively. We also determine the entanglement spectrum and the entanglement diagram of the system by calculating the mutual information thereby clarifying the structure of each phase.Comment: 9 pages, 9 figures, revised version, accepted for publication in PR

Quantum criticality and first-order transitions in the extended periodic Anderson model

We investigate the behavior of the periodic Anderson model in the presence of $d$-$f$ Coulomb interaction ($U_{df}$) using mean-field theory, variational calculation, and exact diagonalization of finite chains. The variational approach based on the Gutzwiller trial wave function gives a critical value of $U_{df}$ and two quantum critical points (QCPs), where the valence susceptibility diverges. We derive the critical exponent for the valence susceptibility and investigate how the position of the QCP depends on the other parameters of the Hamiltonian. For larger values of $U_{df}$, the Kondo regime is bounded by two first-order transitions. These first-order transitions merge into a triple point at a certain value of $U_{df}$. For even larger $U_{df}$ valence skipping occurs. Although the other methods do not give a critical point, they support this scenario.Comment: 8 pages, 7 figure

Possible Inversion Symmetry Breaking in the S=1/2 Pyrochlore Heisenberg Magnet

We address the ground-state properties of the long-standing and much-studied three-dimensional quantum spin liquid candidate, the S = 1/2 pyrochlore Heisenberg antiferromagnet. By using SU(2) density-matrix renormalization group (DMRG), we are able to access cluster sizes of up to 128 spins. Our most striking finding is a robust spontaneous inversion symmetry breaking, reflected in an energy density difference between the two sublattices of tetrahedra, familiar as a starting point of earlier perturbative treatments. We also determine the ground-state energy, E-0/N-sites = -0.490(6)J, by combining extrapolations of DMRG with those of a numerical linked cluster expansion. These findings suggest a scenario in which a finite-temperature spin liquid regime gives way to a symmetry-broken state at low temperatures

Pyrochlore S=1/2 Heisenberg antiferromagnet at finite temperature

We use a combination of three computational methods to investigate the notoriously difficult frustrated three-dimensional pyrochlore S = 1/2 aquantum antiferromagnet, at finite temperature T : canonical typicality for a finite cluster of 2 x 2 x 2 unit cells (i.e., 32 sites), a finite-T matrix product state method on a larger cluster with 48 sites, and the numerical linked cluster expansion (NLCE) using clusters up to 25 lattice sites, including nontrivial hexagonal and octagonal loops. We calculate thermodynamic properties (energy, specific heat capacity, entropy, susceptibility, magnetization) and the static structure factor. We find a pronounced maximum in the specific heat at T = 0.57J, which is stable across finite size clusters and converged in the series expansion. At T approximate to 0.25J (the limit of convergence of our method), the residual entropy per spin is 0.47k(B) In 2, which is relatively large compared to other frustrated models at this temperature. We also observe a nonmonotonic dependence on T of the magnetization at low magnetic fields, reflecting the dominantly nonmagnetic character of the low-energy states. A detailed comparison of our results to measurements for the S = 1 material NaCaNi2F7 yields a rough agreement of the functional form of the specific heat maximum, which in turn differs from the sharper maximum of the heat capacity of the spin ice material Dy2Ti2O7

Phase Diagram of Metal-Insulator Transition in System with Anderson-Hubbard Centers

The model of a strongly correlated system in which periodically spaced Anderson-Hubbard centers are introduced into narrow-band metal is considered. Besides the interactions between localized magnetic moments and strong on-site Coulomb interaction, the model takes into account the hybridization of localized and band states. To study the efect of the lattice deformation on the electrical properties of the system the phonon term and elastic energy have been taken into account. Green functions for band and localized electrons have been found. On this base, the energy spectrum has been investigated as function of model parameters, temperature and external pressure. The criterion of metal-insulator transition for integer value of electron concentration has been derived and the phase diagram of the metal-insulator transition has been built.Comment: presented at 12 International Simposium on Physics of Materials, Prague 4-8.09.201

Magnetization process and ordering of the S=1/2 pyrochlore Heisenberg antiferromagnet in a magnetic field

We study the S = 12 pyrochlore Heisenberg antiferromagnet in a magnetic field. Using large-scale density -matrix renormalization group calculations for clusters with up to 128 spins, we find indications of a finite triplet gap, causing a threshold field to nonzero magnetization in the magnetization curve. We obtain a robust saturation field consistent with a magnon crystal, although the corresponding 5/6 magnetization plateau is very slim and possibly unstable. Most remarkably, there is a pronounced and apparently robust 1/2 magnetization plateau where the ground state breaks the rotational symmetry of the lattice, exhibiting oppositely polarized spins on alternating kagome and triangular planes. Reminiscent of the kagome ice plateau of the pyrochlore Ising antiferromagnet known as spin ice, it arises via a much more subtle "quantum order by disorder " mechanism