The collective spin and charge excitations of doped cuprates and their relationship to superconductivity are not yet fully understood, particularly in the case of the charge excitations. Here, we study the doping-dependent dynamical spin and charge s
tructure factors of single and multi-orbital models for the one-dimensional corner shared spin-chain cuprates using several numerically exact methods. We find that the singleband Hubbard model can describe the spin and charge excitations of the $pd$-model in the low-energy region, including the particle-hole asymmetry in the spin response. However, our results also reveal that the weight of the interorbital spin excitations between Cu and O orbitals is comparable to the weight of the spin excitations between two Cu orbitals. This finding elucidates the microscopic nature of the spin excitations in the 1D cuprates and sheds light on the spin properties of other oxides. Importantly, we find a particle-hole asymmetry in the orbital-resolved charge excitations, which cannot be described by the singleband Hubbard model and is relevant to resonant inelastic x-ray scattering experiments. Our results imply that the explicit inclusion of the oxygen degrees of freedom may be required to understand experimental observations.
Majorana modes can arise as zero energy bound states in a variety of solid state systems. A two-dimensional phase supporting these quasiparticles, for instance, emerges on the surface of a topological superconductor with the zero modes localized at t
he cores of vortices. At low energies, such a setup can be modeled by Majorana modes that interact with each other on the Abrikosov lattice. In experiments, the lattice is usually triangular. Motivated by the practical relevance, we explore the phase diagram of this Hubbard-like Majorana model using a combination of mean field theory and numerical simulation of thin torus geometries through the density matrix renormalization group algorithm. Our analysis indicates that attractive interactions between Majoranas can drive a phase transition in an otherwise gapped topological state.
We use Density Matrix Renormalization Group to study a one-dimensional chain with Peierls electron-phonon coupling describing the modulation of the electron hopping due to lattice distortion. We demonstrate the appearance of an exotic phase-separated
state, which we call Peierls phase separation, in the limit of very dilute electron densities, for sufficiently large couplings and small phonon frequencies. This is unexpected, given that Peierls coupling mediates effective pair-hopping interactions that disfavor phase clustering. The Peierls phase separation consists of a homogenous, dimerized, electron-rich region surrounded by electron-poor regions, which we show to be energetically more favorable than a dilute liquid of bipolarons. This mechanism qualitatively differs from that of typical phase separation in conventional electron-phonon models that describe the modulation of the electrons potential energy due to lattice distortions. Surprisingly, the electron-rich region always stabilizes a dimerized pattern at fractional densities, hinting at a non-perturbative correlation-driven mechanism behind phase separation.
In this work, we perform a combination of classical and spin wave analysis on the one-dimensional spin-$S$ Kitaev-Heisenberg-Gamma model in the region of an antiferromagnetic Kitaev coupling. Four phases are found, including a Neel ordered phase, a p
hase with $O_hrightarrow D_3$ symmetry breaking, and $D_3$-breaking I, II phases which both break $D_3$ symmetries albeit in different ways, where $O_h$ is the full octahedral group and $D_3$ is the dihedral group of order six. The lowest-lying spin wave mass is calculated perturbatively in the vicinity of the hidden SU(2) symmetric ferromagnetic point.
A central question on Kitaev materials is the effects of additional couplings on the Kitaev model which is proposed to be a candidate for realizing topological quantum computations. However, two spatial dimension typically suffers the difficulty of l
acking controllable approaches. In this work, using a combination of powerful analytical and numerical methods available in one dimension, we perform a comprehensive study on the phase diagram of a one-dimensional version of the spin-1/2 Kitaev-Heisenberg-Gamma model in its full parameter space. A strikingly rich phase diagram is found with nine distinct phases, including four Luttinger liquid phases, a ferromagnetic phase, a Neel ordered phase, an ordered phase of distorted-spiral spin alignments, and two ordered phase which both break a $D_3$ symmetry albeit in different ways, where $D_3$ is the dihedral group of order six. Our work paves the way for studying one-dimensional Kitaev materials and may provide hints to the physics in higher dimensional situations.
A minimal Kitaev-Gamma model has been recently investigated to understand various Kitaev systems. In the one-dimensional Kitaev-Gamma chain, an emergent SU(2)$_1$ phase and a rank-1 spin ordered phase with $O_hrightarrow D_4$ symmetry breaking were i
dentified using non-Abelian bosonization and numerical techniques. However, puzzles near the antiferromagnetic Kitaev region with finite Gamma interaction remained unresolved. Here we focus on this parameter region and find that there are two new phases, namely, a rank-1 ordered phase with an $O_hrightarrow D_3$ symmetry breaking, and a peculiar Kitaev phase. Remarkably, the $O_hrightarrow D_3$ symmetry breaking corresponds to the classical magnetic order, but appears in a region very close to the antiferromagnetic Kitaev point where the quantum fluctuations are presumably very strong. In addition, a two-step symmetry breaking $O_hrightarrow D_{3d}rightarrow D_3$ is numerically observed as the length scale is increased: At short and intermediate length scales, the system behaves as having a rank-2 spin nematic order with $O_hrightarrow D_{3d}$ symmetry breaking; and at long distances, time reversal symmetry is further broken leading to the $O_hrightarrow D_3$ symmetry breaking. Finally, there is no numerical signature of spin orderings nor Luttinger liquid behaviors in the Kitaev phase whose nature is worth further studies.
The condensation of spin-orbit-induced excitons in $(t_{2g})^4$ electronic systems is attracting considerable attention. In the large Hubbard U limit, antiferromagnetism was proposed to emerge from the Bose-Einstein Condensation (BEC) of triplons ($J
_{textrm{eff}} = 1$). In this publication, we show that even for the weak and intermediate U regimes, the spin-orbit exciton condensation is possible leading also to staggered magnetic order. The canonical electron-hole excitations (excitons) transform into local triplon excitations at large U , and this BEC strong coupling regime is smoothly connected to the intermediate U excitonic insulator region. We solved the degenerate three-orbital Hubbard model with spin-orbit coupling ($lambda$) in one-dimensional geometry using the Density Matrix Renormalization Group, while in two-dimensional square clusters we use the Hartree-Fock approximation (HFA). Employing these techniques, we provide the full $lambda$ vs U phase diagrams for both one- and two- dimensional lattices. Our main result is that at the intermediate Hubbard U region of our focus, increasing $lambda$ at fixed U the system transitions from an incommensurate spin-density-wave metal to a Bardeen-Cooper-Schrieffer (BCS) excitonic insulator, with coherence length r coh of O(a) and O(10a) in 1d and 2d, respectively, with a the lattice spacing. Further increasing $lambda$, the system eventually crosses over to the BEC limit (with r coh << a).
While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section lacks closure. In the particular case of strongly correlated electron systems, numerical techniques are
quite limited, since conventional approaches rely on calculating a response function (Kramers-Heisenberg formula) that is obtained from a time-dependent perturbative analysis of scattering processes. This requires a knowledge of a full set of eigenstates in order to account for all intermediate processes away from equilibrium, limiting the applicability to small tractable systems. In this work, we present an alternative paradigm allowing to explicitly solving the time-dependent Schrodinger equation without the limitations of perturbation theory, a faithful simulation of all scattering processes taking place in actual experiments. We introduce the formalism and an application to Mott insulating Hubbard chains using the time-dependent density matrix renormalization group method, which does not require a priory knowledge of the eigenstates and thus, can be applied to very large systems with dozens of orbitals. Away from the ultra short lifetime limit we find signatures of spectral weight at low energies that can be explained in terms of gapless multi-spinon excitations. Our approach can readily be applied to systems out of equilibrium without modification.
We introduce a variational state for one-dimensional two-orbital Hubbard models that intuitively explains the recent computational discovery of pairing in these systems when hole doped. Our Ansatz is an optimized linear superposition of Affleck-Kenne
dy-Lieb-Tasaki valence bond states, rendering the combination a valence bond liquid dubbed Orbital Resonant Valence Bond. We show that the undoped (one electron/orbital) quantum state of two sites coupled into a global spin singlet is exactly written employing only spin-1/2 singlets linking orbitals at nearest-neighbor sites. Generalizing to longer chains defines our variational state visualized geometrically expressing our chain as a two-leg ladder, with one orbital per leg. As in Andersons resonating valence-bond state, our undoped variational state contains preformed singlet pairs that via doping become mobile leading to superconductivity. Doped real materials with one-dimensional substructures, two near-degenerate orbitals, and intermediate Hubbard U/W strengths -- W the carriers bandwidth -- could realize spin-singlet pairing if on-site anisotropies are small. If these anisotropies are robust, spin-triplet pairing emerges.
We study the phase diagram of a one-dimensional version of the Kitaev spin-1/2 model with an extra ``$Gamma$-term, using analytical, density matrix renormalization group and exact diagonalization methods. Two intriguing phases are found. In the gaple
ss phase, although the exact symmetry group of the system is discrete, the low energy theory is described by an emergent SU(2)$_1$ Wess-Zumino-Witten (WZW) model. On the other hand, the spin-spin correlation functions exhibit SU(2) breaking prefactors, even though the exponents and the logarithmic corrections are consistent with the SU(2)$_1$ predictions. A modified nonabelian bosonization formula is proposed to capture such exotic emergent ``partial SU(2) symmetry. In the ordered phase, there is numerical evidence for an $O_hrightarrow D_4$ spontaneous symmetry breaking.
