arXiv subjects

Gabe Schumm

Publications and source records attributed to Gabe Schumm.

6 recordsLinked to original sources

arXiv2025

Single-hole spectral functions in one-dimensional quantum magnets with different ground states

Recent advances in numerical analytic continuation with physics-motivated constraints allow sharp spectral features to be extracted from imaginary-time quantum Monte Carlo (QMC) data. We apply these methods to one-dimensional $S=1/2$ spin systems with a single ejected fermion, computing the momentum- and energy-dependent single-hole spectral function $A(k,\omega)$. The real-space Green's function $G(r,\tau)$ is evaluated using Angelucci's canonical transformation [Phys. Rev. B 51, 11580 (1995)] implemented within stochastic series expansion QMC, and $A(k,\omega)$ is obtained by constrained stochastic analytic continuation. We contrast systems exhibiting spin-charge separation with those forming a spin polaron through effective spin-charge attraction. For the conventional $t$-$J$ chain, we recover the established signatures of spin-charge separation. Adding a multispin interaction $Q$ drives the system into a spontaneously dimerized valence-bond-solid (VBS) state; spin-charge-separation features persist up to the transition. Although the spectra generally agree with the conventional analytical ansatz, we find a gap between two holon bands that the ansatz predicts to be degenerate at $k=0$ and $k=\pi$. Deep in the VBS phase, the spectra provide evidence for spinon-holon binding at large $Q/J$. In a statically dimerized $t$-$J$ chain, we observe equally spaced spin-polaron bands associated with increasingly large bound states and two internal modes, even and odd under parton permutation. These results demonstrate the power of constrained analytic continuation combined with large-scale QMC for resolving sharp spectral features and distinguishing fractionalized from bound excitations.

cond-mat.str-el↗

arXiv2025

Single-Particle Dispersion and Density of States of the Half-Filled 2D Hubbard Model

Implementing an improved method for analytic continuation and working with imaginary-time correlation functions computed using quantum Monte Carlo simulations, we resolve the single-particle dispersion relation and the density of states (DOS) of the two-dimensional Hubbard model at half-filling. At intermediate interactions of $U/t = 4,6$, we find quadratic dispersion around the gap minimum at wave-vectors $\mathbf{k} = (\pm \pi/2, \pm \pi/2)$ (the $\Sigma$ points). We find saddle points at $\mathbf{k} = (\pm \pi,0),(0,\pm \pi)$ (the X points) where the dispersion is approximately quartic, leading to a sharp DOS maximum above the almost flat ledge arising from the states close to $\Sigma$. The fraction of quasiparticle states within the ledge is $n_{\rm ledge} \approx 0.15$. Upon doping away from half-filling, within the rigid-band approximation, these results support Fermi pockets around the $\Sigma$ points, with states around the X points becoming filled only at doping fractions $x \ge n_{\rm ledge}$. The high density of states away from the $\Sigma$ gap edge may be an important clue for a finite minimum doping level for superconductivity and other instabilities of doped Mott insulators.

cond-mat.str-el↗

arXiv2024

Dynamic structure factor of a spin-1/2 Heisenberg chain with long-range interactions

We study the dynamic structure factor $S(k,\omega)$ of the spin-1/2 chain with long-range, power-law decaying unfrustrated (sign alternating) Heisenberg interactions $J_r \sim (-1)^{r-1} r^{-\alpha}$ by means of stochastic analytic continuation (SAC) of imaginary-time correlations computed by quantum Monte Carlo calculations. We do so in both the long-range antiferromagnetic (AFM, for $\alpha \lesssim 2.23$) and quasi-long-range-ordered (QLRO, for $\alpha \gtrsim 2.23$) ground-state phases, employing different SAC parametrizations of $S(k,\omega)$ to resolve sharp edges characteristic of fractional quasi-particles and sharp peaks expected with conventional quasi-particles. In order to identify the most statistically accurate parametrization, we apply a newly developed cross-validation method as a ``model selection'' tool. We confirm that the spectral function contains a power-law divergent edge in the QLRO phase and a very sharp (likely $\delta$-function) magnon peak in the AFM phase. From our SAC results, we extract the dispersion relation in the different regimes of the model, and in the AFM phase we extract the weight of the magnon pole. In the limit where the model reduces to the conventional Heisenberg chain with nearest-neighbor interactions, our $S(k,\omega)$ agrees well with known Bethe ansatz results. In the AFM phase the low-energy dispersion relation is known to be nonlinear, $\omega_k \sim k^z$, and we extract the corresponding dynamic exponent $z(\alpha)$, which in general is somewhat above the form obtained in linear spin-wave theory. We also find a significant continuum above the magnon peak. This study serves as a benchmark for SAC/QMC studies of systems with a transition from conventional to fractionalized quasi-particles.

cond-mat.str-el↗

arXiv2024

Cross Validation in Stochastic Analytic Continuation

Stochastic Analytic Continuation (SAC) of Quantum Monte Carlo (QMC) imaginary-time correlation function data is a valuable tool in connecting many-body models to experimentally measurable dynamic response functions. Recent developments of the SAC method have allowed for spectral functions with sharp features, e.g. narrow peaks and divergent edges, to be resolved with unprecedented fidelity. Often times, it is not known what exact sharp features, if any, are present \textit{a priori}, and, due to the ill-posed nature of the analytic continuation problem, multiple spectral representations may be acceptable. In this work, we borrow from the machine learning and statistics literature and implement a cross validation technique to provide an unbiased method to identify the most likely spectrum amongst a set obtained with different spectral parameterizations and imposed constraints. We demonstrate the power of this method with examples using imaginary-time data generated by QMC simulations and synthetic data generated from artificial spectra. Our procedure, which can be considered a form of model selection, can be applied to a variety of numerical analytic continuation methods, beyond just SAC.

cond-mat.str-el↗

arXiv2023

Primary and Secondary Order Parameters in the Fully Frustrated Transverse Field Ising Model on the Square Lattice

Using quantum Monte Carlo simulations and field-theory arguments, we study the fully frustrated (Villain) transverse-field Ising model on the square lattice. We consider a "primary" spin order parameter and a "secondary" dimer order parameter, which both lead to the same phase diagram but detect $Z_8$ and $Z_4$ symmetry, respectively. The spin order scales with conventional exponents, both in the finite temperature critical phase and at the $T = 0$ quantum critical point. The scaling of the dimer order requires more detailed investigations of the applicable low-energy theories; the height model at $T > 0$ and the $O(2)$ model in 2+1 dimensions at $T = 0$. Relating the order parameters to operators in these effective models, we predict the secondary critical exponents and confirm them numerically. The relationships between the primary and secondary order parameters have not been previously discussed in this context and provide insight more broadly for Ising models whose low-energy physics involves dimer degrees of freedom.

cond-mat.str-el↗

arXiv2018

Alternative Stacking Sequences in Hexagonal Boron Nitride

The relative orientation of successive sheets, i.e. the stacking sequence, in layered two-dimensional materials is central to the electronic, thermal, and mechanical properties of the material. Often different stacking sequences have comparable cohesive energy, leading to alternative stable crystal structures. Here we theoretically and experimentally explore different stacking sequences in the van der Waals bonded material hexagonal boron nitride (h-BN). We examine the total energy, electronic bandgap, and dielectric response tensor for five distinct high symmetry stacking sequences for both bulk and bilayer forms of h-BN. Two sequences, the generally assumed AA' sequence and the relatively unknown (for h-BN) AB (Bernal) sequence, are predicted to have comparably low energy. We present a scalable modified chemical vapor deposition method that produces large flakes of virtually pure AB stacked h-BN; this new material complements the generally available AA' stacked h-BN.

cond-mat.mtrl-sci↗