arXiv subjects

Brian Moritz

Publications and source records attributed to Brian Moritz.

At least 19 recordsLinked to original sources

arXiv2026

Robust fluctuating intertwined charge stripes in the Emery model

The single-band Hubbard model is one of the most extensively studied models in condensed matter physics, giving rise to intertwined spin and charge stripes that coexist with, or lie in the vicinity of, superconductivity in the phase diagram. However, whether the low energy physics of the single-band Hubbard model is fully equivalent to the multi-band (multi-orbital) Emery model remains an unsettled question. While the intertwined stripes and nematicity have been studied in the single-band Hubbard model, a comprehensive picture in the Emery model is lacking. In this paper, we focus on the less investigated intertwined charge stripes using complementary density matrix renormalization group (DMRG) and determinant quantum Monte Carlo (DQMC) techniques. Our ground state DMRG confirms the presence of the oxygen-centered charge stripes at a reduced amplitude in the Emery model parameter regime widely used in the study of intertwined stripes. Close analysis of the oxygen orbital structure of the static charge correlation function from DQMC reveals the charge stripe pattern in real-space, showcasing stronger charge density modulation on $p$-orbitals pointing along ``the rivers of charge'', consistent with DMRG. For the parameter set with the largest fermion signs, we managed to reach a temperature where the system first demonstrated tendencies to form purely unidirectional spin and charge stripes, and the $B_{1g}$ component becomes dominant in the bond-charge nematic susceptibility. This observation correlates with the doping dependence of the kinetic energy anisotropy, suggesting a close relation between the nematicity and charge stripes in the Emery model.

cond-mat.str-el↗

arXiv2026

Interlayer Five-Spin Polaron in Superconducting Bilayer Nickelates

The discovery of high-$T_c$ superconductivity in Ruddlesden-Popper nickelates has sparked substantial effort towards understanding unconventional electronic states beyond a traditional cuprate-like $d^9$ configurational ground state. An understanding of the interplay between magnetic ground states and multi-orbital physics is key for establishing a microscopic mechanism for superconductivity. In the bilayer nickelates, spin density wave (SDW) order is a prominent feature in the non-superconducting regime, yet its relation to superconducting pairing remains an open question. Here, we use resonant x-ray scattering to examine the existence of SDW order in superconducting bilayer nickelate thin films La$_2$PrNi$_2$O$_7$ (LPNO). Comparing superconducting and oxygen-deficient LPNO thin films, we find that superconductivity occurs in SDW-free, oxygen-stoichiometric regions, whereas oxygen-deficiency promotes SDW order, indicating phase segregation of SDW and superconductivity. Furthermore, Ni-$L_3$ and O-$K$ edge spectroscopy reveals distinct electronic structures - particularly along the $c$-axis - between the two regions. Our results identify oxygen stoichiometry as a key parameter controlling interlayer coupling and thus the electronic structure of bilayer nickelates. In concert with theory, we propose that a ligand hole primarily resides at the inter-bilayer apical oxygen, forming a robust interlayer five-spin polaron state, which serves as the ground state for superconducting bilayer nickelates.

cond-mat.str-el↗

arXiv2026

Biaxial Strain Control of Helimagnetism via Chemical Expansion in Thin Film SrFeO3

We demonstrate control of helimagnetic order in biaxially strained SrFeO3 thin films using neutron diffraction and resonant soft x-ray scattering. SrFeO3, a negative charge-transfer oxide, exhibits a complex magnetic phase diagram that includes multi-q spin structures. Tensile epitaxial strain produces a pronounced shortening of the helimagnetic ordering length and a tilting of the magnetic ordering vector. We interpret this behavior in terms of chemical expansion: lattice dilation under tensile strain lowers the energetic cost of oxygen vacancies, leading to an expanded unit cell that modifies Fe-O hybridization and enhances superexchange relative to double exchange. These results reveal how epitaxial strain can indirectly tune helimagnetism through defect-driven chemical expansion, highlighting the strong coupling between lattice, chemistry, and magnetic order in transition-metal oxides. Our findings establish chemical expansion as an effective mechanism for engineering complex magnetic textures in oxide thin films, with implications for spintronic, magnonic, and quantum information applications.

cond-mat.mtrl-sci↗

arXiv2025

Autoregressive Neural Network Extrapolation of Quantum Spin Dynamics Across Time and Space

Understanding the long-time dynamics of strongly correlated quantum matter remains a major challenge: as quantum entanglement grows during time evolution, conventional numerical methods become increasingly costly, limiting access to the long-range correlations and low-energy excitations that govern gapless systems. Here we show that these dynamical correlations can be extended beyond the accessible numerical window without explicitly evolving the underlying many-body wavefunction. We introduce an autoregressive machine-learning framework that enables the extrapolation of dynamical spin correlations in both time and space beyond the reach of conventional numerical methods. Trained on time-dependent density matrix renormalization group simulations of the gapless XXZ model, our approach is benchmarked against exact solutions available for this analytically solvable system. Combined with physics-informed spatial extension, a multi-layer perceptron model using ReLU activation functions has been shown to be superior to convolutional neural networks and linear regressions for longer time extrapolation. A study of error accumulation further demonstrates that our autoregressive neural network extrapolations are highly robust to perturbations, suggesting stable and reliable predictions. This work offers a complementary route to studying the dynamics of gapless quantum many-body systems, in which machine learning extends and complements the capabilities of state-of-the-art numerical approaches.

cond-mat.str-el↗

arXiv2025

Collective Magnetic Excitations in a Photo-excited Electron-doped Cuprate Superconductor

Elucidating the microscopic behavior of cuprates under ultrafast photoexcitation offers critical insights into their highly correlated out-of-equilibrium states. Although quasiparticle dynamics have been investigated extensively, the behavior of collective magnetic excitations remains comparatively unexplored. Here, we use time-resolved resonant inelastic X-ray scattering (trRIXS) at the Cu $L_3$-edge to track the collective magnetic excitations (paramagnons) in an optimally electron-doped cuprate driven out-of-equilibrium by a femtosecond pump laser pulse. Upon pumping, we observed an anti-Stokes signal associated with paramagnon generation, which modifies the paramagnon dispersion near the zone center, although the bandwidth remained unchanged. Moreover, the spectral weight exhibits a momentum-dependent variation across the Brillouin zone. The light-driven boost of the paramagnon population and the resulting spectral-weight transfer could provide new leverage to manipulate the properties of cuprates.

cond-mat.mtrl-sci↗

arXiv2025

Negative Charge Transfer: Ground State Precursor towards High Energy Batteries

Modern energy applications, especially electric vehicles, demand high energy batteries. However, despite decades of intensive efforts, the highest energy density and commercially viable batteries are still based on LiCoO2, the very first generation of cathode materials. The technical bottleneck is the stability of oxide-based cathodes at high operating voltages. The fundamental puzzle is that we actually never understood the redox mechanism of LiCoO2. Conventional wisdom generally defines redox to be centered on cations at low voltages, and on anions, i.e. oxygen, at high voltages by forming oxidized chemical states like O2 or peroxo-species. Here, through in-situ and ex-situ spectroscopy coupled with theoretical calculations, we show that high-energy layered cathodes, represented by LiCoO2 and LiNiO2, operate through enhancement of negative charge transfer (NCT) ground states upon charging throughout the whole voltage range - i.e., NCT evolution itself is the intrinsic redox mechanism regardless of voltage ranges. NCT inherently engages high covalency and oxygen holes, leading to optimized performance without conventional redox centers in LiCoO2. The level of NCT, i.e., number of ligand holes, naturally explains many seemingly controversial results. The redefinition of redox mechanism reveals the pathway toward viable high energy battery electrodes.

cond-mat.mtrl-sci↗

arXiv2025

Improving Spectral Resolution from Real-time Evolution for Correlated Systems

The quality of numerically simulated spectra using real-time evolution methods for strongly correlated systems is affected by both the length of simulation time and the system size, limiting resolution in both frequency and momentum. In this work, we propose a computationally cheap, linear autoregressive machine learning-based framework to extend short-time and distance results over a wider range. We demonstrate the proposed method to extend the lesser Green's function for both the Hubbard model and the much more computationally challenging Hubbard-extended Holstein model. This technique significantly improves both the frequency and momentum resolution of the single-particle removal spectrum $\mathcal{A}(k,\omega)$, allowing observation of otherwise obscured spectral features due to electron-phonon coupling.

cond-mat.str-el↗

arXiv2025

Direct Observation of the Lindhard Continuum using Resonant Inelastic X-ray Scattering

Understanding the excitations of quantum materials is essential for unraveling how their microscopic constituents interact. Among these, particle-hole excitations form a particularly important class, as they govern fundamental processes such as screening, dissipation, and transport. In metals, the continuum of electron-hole excitations is described by the Lindhard function. Although central to the theory of Fermi liquids, the corresponding Lindhard continuum has remained experimentally elusive. Here, we report its direct observation in the weakly correlated metal MgB$_{2}$ using ultra-soft resonant inelastic X-ray scattering (RIXS). We resolve a linearly dispersing excitation with velocity comparable to the Fermi velocity and find quantitative agreement with simulations of the non-interacting charge susceptibility. A detailed analysis and decomposition of the simulations reveal the intra-band origin of this low-energy excitation, confirming it as the Lindhard continuum. Our results establish ultra-soft RIXS as a momentum-resolved probe of the fermiology in metals and call for deeper investigations of continuum features in RIXS and related spectroscopy of other materials beyond MgB$_{2}$.

cond-mat.str-el↗

arXiv2025

Probing the pseudogap and beyond: Examining single-particle properties of the hole- and electron-doped Hubbard model

We compute high-resolution angle-resolved photoemission spectroscopy of the Hubbard model using the unbiased determinant quantum Monte Carlo algorithm, revealing an asymmetry between electron and hole doping. Electron doping exhibits more coherent quasiparticles and stronger antiferromagnetic correlations compared to hole doping. At low doping, a nodal-antinodal dichotomy on the Fermi surface is observed, similar to cuprate experiments. The dichotomy reflects the momentum dependence of the Mott gap, as manifested in both the spectral function and the self-energy. For hole doping, we observe a transition towards the pseudogap, without signature of pocket formation. The simulated nuclear magnetic resonance pseudogap temperatures do not necessarily agree with the temperature determined by spectroscopy. These findings collectively suggest the pseudogap is a smooth crossover driven by strong correlations.

cond-mat.str-el↗

arXiv2025

Enhanced superconducting correlations in the Emery model and its connections to strange metallic transport and normal state coherence

Numerical evidence for superconductivity in the single-band Hubbard model is elusive or ambiguous despite extensive study, raising the question of whether the single-band Hubbard model is a faithful low energy effective model for cuprates, and whether explicitly including the oxygen ions will recover the properties necessary for a superconducting transition. Here we show, by using numerically exact determinant quantum Monte Carlo (DQMC) simulations of the doped Emery model, that while the single-band model exhibits strikingly T-linear resistivity, the three-band model crosses the resistivity of the single-band model from above, indicating a crossover to a more metallic transport regime. The enhanced conductivity is mainly contributed by a steep increase in the diffusivity of the three-band model at the crossover, suggesting that three-band transport is more coherent than single-band transport at lower temperatures. Below the same crossover temperature in the three-band model, the pair-field susceptibility increases more steeply than at higher temperatures or when compared to the single-band model. This suggests a possible connection between superconductivity and coherent transport, and further implies that coherent transport might be necessary for a model to capture the high-temperature superconductivity observed in hole-doped cuprates.

cond-mat.str-el↗

arXiv2025

Doping dependence of 2-spinon excitations in the doped 1D cuprate Ba$_2$CuO$_{3+{\delta}}$

Recent photoemission experiments on the quasi-one-dimensional Ba-based cuprates suggest that doped holes experience an attractive potential not captured using the simple Hubbard model. This observation has garnered significant attention due to its potential relevance to Cooper pair formation in high-$T_c$ cuprate superconductors. To scrutinize this assertion, we examined signatures of such an attractive potential in doped 1D cuprates Ba$_2$CuO$_{3+\delta}$ by measuring the dispersion of the 2-spinon excitations using Cu $L_3$-edge resonant inelastic X-ray scattering (RIXS). Upon doping, the 2-spinon excitations appear to weaken, with a shift of the minimal position corresponding to the nesting vector of the Fermi points, $q_F$. Notably, we find that the energy scale of the 2-spinons near the Brillouin zone boundary is substantially softened compared to that predicted by the Hubbard model in one-dimension. Such a discrepancy implies missing ingredients, which lends support for the presence of an additional attractive potential between holes.

cond-mat.str-el↗

arXiv2025

Proximity-Induced Nodal Metal in an Extremely Underdoped CuO$_2$ Plane in Triple-Layer Cuprates

ARPES studies have established that the high-$T_c$ cuprates with single and double CuO$_2$ layers evolve from the Mott insulator to the pseudogap state with a Fermi arc, on which the superconducting (SC) gap opens. In four- to six-layer cuprates, on the other hand, small hole Fermi pockets are formed in the innermost CuO$_2$ planes, indicating antiferromagnetism. Here, we performed ARPES studies on the triple-layer Bi$_2$Sr$_2$Ca$_2$Cu$_3$O$_{10+\delta}$ over a wide doping range, and found that, although the doping level of the inner CuO$_2$ plane was extremely low in underdoped samples, the $d$-wave SC gap was enhanced to the unprecedentedly large value of $\Delta_0\sim$100 meV at the antinode and persisted well above $T_{{c}}$ without the appearance of a Fermi arc, indicating a robust ``nodal metal''. We attribute the nodal metallic behavior to the unique local environment of the inner clean CuO$_2$ plane in the triple-layer cuprates, sandwiched by nearly optimally-doped two outer CuO$_2$ planes and hence subject to strong proximity effect from both sides. In the nodal metal, quasiparticle peaks showed electron-hole symmetry, suggesting $d$-wave pairing fluctuations. Thus the proximity effect on the innermost CuO${_2}$ plane is the strongest in the triple-layer cuprates, which explains why the $T_c$ reaches the maximum at the layer number of three in every multi-layer cuprate family.

cond-mat.str-el↗

arXiv2025

Detection of chiral spin fluctuations driven by frustration in Mott insulators

Topologically ordered states, such as chiral spin liquids, have been proposed as candidates that host fractionalized excitations. However, detecting chiral character or proximity to these non-trivial states remains a challenge. Resonant Raman scattering can be a powerful tool for detecting chiral fluctuations, as the $A_{2g}$ channel probes excitations with broken time-reversal symmetry and local chiral order. Here, we use exact diagonalization to characterize the resonant $A_{2g}$ channel, alongside two-magnon scattering in $B_{1g}$ and $E_g$ channels, for the Hubbard model on lattices with increasing levels of geometric spin frustration, where tuning the incident energy near the Mott gap reveals strong chiral spin excitation intensity. Increased spin frustration in the Mott insulator results in an overall softening of the Raman $A_{2g}$ response, indicating a tendency toward low energy chiral-chiral fluctuations in Mott insulators with magnetic frustration and proximity to chiral spin liquid states that can potentially be tuned by external perturbations.

cond-mat.str-el↗

arXiv2024

Colossal magnetoresistance from spin-polarized polarons in an Ising system

Recent experiments suggest a new paradigm towards novel colossal magnetoresistance (CMR) in a family of materials EuM$_2$X$_2$(M=Cd, In, Zn; X=P, As), distinct from the traditional avenues involving Kondo-RKKY crossovers, magnetic phase transitions with structural distortions, or topological phase transitions. Here, we use angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations to explore their origin, particularly focusing on EuCd$_2$P$_2$. While the low-energy spectral weight royally tracks that of the resistivity anomaly near the temperature with maximum magnetoresistance (T$_{MR}$) as expected from transport-spectroscopy correspondence, the spectra are completely incoherent and strongly suppressed with no hint of a Landau quasiparticle. Using systematic material and temperature dependence investigation complemented by theory, we attribute this non-quasiparticle caricature to the strong presence of entangled magnetic and lattice interactions, a characteristic enabled by the $p$-$f$ mixing. Given the known presence of ferromagnetic clusters, this naturally points to the origin of CMR being the scattering of spin-polarized polarons at the boundaries of ferromagnetic clusters. These results are not only illuminating to investigate the strong correlations and topology in EuCd$_2$X$_2$ family, but, in a broader view, exemplify how multiple cooperative interactions can give rise to extraordinary behaviors in condensed matter systems.

cond-mat.str-el↗

arXiv2024

Intrinsic Thermal Hall Effect in Mott Insulators

In light of recent experimental data indicating a substantial thermal Hall effect in square lattice antiferromagnetic Mott insulators, we investigate whether a simple Mott insulator can sustain a finite thermal Hall effect. We verify that the answer is "no" if one performs calculations within a spin-only low-energy effective spin model with non-interacting magnons. However, by performing determinant quantum Monte Carlo simulations, we show the single-band $t$-$t'$-$U$ Hubbard model coupled to an orbital magnetic field does support a finite thermal Hall effect when $t' \neq 0$ and $B \neq 0$ in the Mott insulating phase. We argue that the (carrier agnostic) necessary conditions for observing a finite thermal Hall effect are time-reversal and particle-hole symmetry breaking. By considering magnon-magnon scattering using a semi-classical Boltzmann analysis, we illustrate a physical mechanism by which finite transverse thermal conductivity may arise, consistent with our symmetry argument and numerical results. Our results contradict the conventional wisdom that square and triangular lattices with SU(2) symmetry do not support a finite thermal Hall effect and call for a critical re-examination of thermal Hall effect data in insulating magnets, as the magnon contribution should not be excluded a priori.

cond-mat.str-el↗

arXiv2024

Orbital inversion and emergent lattice dynamics in infinite layer CaCoO$_2$

The layered cobaltate CaCoO$_2$ exhibits a unique herringbone-like structure. Serving as a potential prototype for a new class of complex lattice patterns, we study the properties of CaCoO$_2$ using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS). Our results reveal a significant inter-plane hybridization between the Ca $4s-$ and Co $3d-$orbitals, leading to an inversion of the textbook orbital occupation of a square planar geometry. Further, our RIXS data reveal a strong low energy mode, with anomalous intensity modulations as a function of momentum transfer close to a quasi-static response suggestive of electronic and/or orbital ordering. These findings indicate that the newly discovered herringbone structure exhibited in CaCoO$_2$ may serve as a promising laboratory for the design of materials having strong electronic, orbital and lattice correlations.

cond-mat.str-el↗

arXiv2024

Time-resolved X-ray Spectroscopy from the Atomic Orbital Ground State Up

X-ray spectroscopy has been a key method to determine ground and excited state properties of quantum materials with atomic specificity. Now, new x-ray facilities are opening the door to the study of pump-probe x-ray spectroscopy - specifically time-resolved x-ray absorption (trXAS) and time-resolved resonant inelastic x-ray scattering (trRIXS). In this paper we will present simulations of each of these spectroscopies using a time-domain full atomic multiplet, charge transfer Hamiltonian, adapted to study the properties of a generalized cluster model including a central transition metal ion caged by ligand atoms in a planar geometry. The numerically evaluated trXAS and trRIXS cross-sections for representative electron configurations $3d^9$ and $3d^8$ demonstrate the insights that can be obtained from charge transfer pumping, and how this nonequilibrium process affects ground and excited state properties. The straightforward characterization of the excitations in these systems, based on our analysis of the simulations, can serve as a benchmark for future experiments, as access to these time-resolved spectroscopic techniques becomes more widely available.

cond-mat.str-el↗

arXiv2024

The Influence of Extended Interactions on Spin Dynamics in One-dimensional Cuprates

Quasi-one-dimensional (1D) materials provide a unique platform for understanding the importance and influence of extended interactions on the physics of strongly correlated systems due to their relative structural simplicity and the existence of powerful theoretical tools well-adapted to one spatial dimension. Recently, this was highlighted by anomalous observations in the single-particle spectral function $A(q,\omega)$ of 1D cuprate chain compounds, measured by angle-resolved photoemission spectroscopy (ARPES), which were explained by the presence of a long-range attractive interaction. Such an extended interaction should leave its fingerprints on other observables, notably the dynamical spin structure factor $S(q,\omega)$, measured by neutron scattering or resonant inelastic x-ray scattering (RIXS). Starting from a simple Hubbard Hamiltonian in 1D and using time-dependent density matrix renormalization group (tDMRG) methods, we show that the presence of long-range attractive coupling, directly through an instantaneous Coulomb interaction $V$ or retarded electron-phonon ({\it el-ph}) coupling, can introduce significant spectral weight redistribution in $S(q,\omega)$ across a wide range of doping. This underscores the significant impact that extended interactions can have on dynamical correlations among particles, and the importance of properly incorporating this influence in modeling. Our results demonstrate that $S(q,\omega)$ can provide a sensitive experimental constraint, which complements ARPES measurements, in identifying key interactions in 1D cuprates, beyond the standard Hubbard model.

cond-mat.str-el↗