arXiv subjects

Adrian Feiguin

Publications and source records attributed to Adrian Feiguin.

At least 19 recordsLinked to original sources

arXiv2025

Band mixing effects in one-dimensional charge transfer insulators

The low-energy properties of transition metal oxides (TMOs) are governed by the electrons occupying strongly correlated $d$-orbitals that are hybridized with surrounding ligand oxygen $p$ orbitals to varying degrees. Their physics is thus established by a complex interplay between the transition-metal (TM)-ligand hopping $t$, charge transfer energy $\Delta_\mathrm{CT}$, and on-site TM Hubbard repulsion $U$. Here, we study the spectral properties of a one-dimensional (1D) analog of such a $pd$ system, with alternating TM $d$ and ligand anion $p$ orbitals situated along a chain. Using the density matrix renormalization group method, we study the model's single-particle spectral function, x-ray absorption spectrum, and dynamical spin structure factor as a function of $\Delta_\mathrm{CT}$ and $U$. In particular, we present results spanning from the Mott insulating ($\Delta_\mathrm{CT} > U$) to negative charge transfer regime $\Delta_\mathrm{CT} < 0$ to better understand the ground and momentum-resolved excited state properties of these different regimes. Our results can guide new studies on TMOs that seek to situate them within the Mott-Hubbard/charge transfer insulator classification scheme.

cond-mat.str-el↗

arXiv2024

Skyrmions: A review on materials perspective for future electronic devices

Recent years have witnessed an enormous rise in research interest in magnetic skyrmions owing to their capability to improve over contemporary spintronic devices. An overview of the various magnetic interactions responsible for the formation of skyrmion together with distinct noncentrosymmetric and centrosymmetric skyrmion candidates is given in this review article. The magnetic interactions known as Dzyaloshinskii-Moriya interactions (DMI) have been extensively studied over the years to better understand the mechanism of skyrmions in chiral magnets that have larger skyrmion sizes. Because of their low skyrmion size, the centrosymmetric frustrated magnets are dwelling to skyrmions controlled by long-range interactions such as the Ruderman-Kittel-Kasuya-Yosida interaction (RKKY), which may be useful in the development of high-density memory devices. To lay a solid foundation for the magnetic interactions involved in skyrmion formations and many other special physical properties, more research in the field of centrosymmetric skyrmions is required. Apart from studying candidates with low skyrmion sizes, one of the main goals for the future is to better understand the dynamics of skyrmion using polarized magnons, which has the potential to be extremely beneficial for spintronic applications.

cond-mat.mtrl-sci↗

arXiv2023

3D Heisenberg universality in the Van der Waals antiferromagnet NiPS$_3$

Van der Waals (vdW) magnetic materials are comprised of layers of atomically thin sheets, making them ideal platforms for studying magnetism at the two-dimensional (2D) limit. These materials are at the center of a host of novel types of experiments, however, there are notably few pathways to directly probe their magnetic structure. We report the magnetic order within a single crystal of NiPS$_3$ and show it can be accessed with resonant elastic X-ray diffraction along the edge of the vdW planes in a carefully grown crystal by detecting structurally forbidden resonant magnetic X-ray scattering. We find the magnetic order parameter has a critical exponent of $\beta\sim0.36$, indicating that the magnetism of these vdW crystals is more adequately characterized by the three-dimensional (3D) Heisenberg universality class. We verify these findings with first-principle density functional theory, Monte-Carlo simulations, and density matrix renormalization group calculations.

cond-mat.str-el↗

arXiv2023

Kernel Fusion in Atomistic Spin Dynamics Simulations on Nvidia GPUs using Tensor Core

In atomistic spin dynamics simulations, the time cost of constructing the space- and time-displaced pair correlation function in real space increases quadratically as the number of spins $N$, leading to significant computational effort. The GEMM subroutine can be adopted to accelerate the calculation of the dynamical spin-spin correlation function, but the computational cost of simulating large spin systems ($>40000$ spins) on CPUs remains expensive. In this work, we perform the simulation on the graphics processing unit (GPU), a hardware solution widely used as an accelerator for scientific computing and deep learning. We show that GPUs can accelerate the simulation up to 25-fold compared to multi-core CPUs when using the GEMM subroutine on both. To hide memory latency, we fuse the element-wise operation into the GEMM kernel using $\mathtt{CUTLASS}$ that can improve the performance by 26% $\sim$ 33% compared to implementation based on $\mathtt{cuBLAS}$. Furthermore, we perform the on-the-fly calculation in the epilogue of the GEMM subroutine to avoid saving intermediate results on global memory, which makes the large-scale atomistic spin dynamics simulation feasible and affordable.

physics.comp-ph↗

arXiv2023

On Ultrafast X-ray Methods for Magnetism

With the introduction of x-ray free electron laser sources around the world, new scientific approaches for visualizing matter at fundamental length and time-scales have become possible. As it relates to magnetism and "magnetic-type" systems, advanced methods are being developed for studying ultrafast magnetic responses on the time-scales at which they occur. We describe three capabilities which have the potential to seed new directions in this area and present original results from each: pump-probe x-ray scattering with low energy excitation, x-ray photon fluctuation spectroscopy, and ultrafast diffuse x-ray scattering. By combining these experimental techniques with advanced modeling together with machine learning, we describe how the combination of these domains allows for a new understanding in the field of magnetism. Finally, we give an outlook for future areas of investigation and the newly developed instruments which will take us there.

cond-mat.mtrl-sci↗

arXiv2023

Auger spectroscopy beyond the ultra-short core-hole relaxation time approximation

We present a time-dependent computational approach to study Auger electron spectroscopy (AES) beyond the ultra-short core-hole relaxation time approximation and, as a test case, we apply it to the paradigmatic example of a one-dimensional Mott insulator represented by a half-filled Hubbard chain. The Auger spectrum is usually calculated by assuming that, after the creation of a core-hole, the system thermalizes almost instantaneously. This leads to a relatively simple analytical expression that uses the ground-state with a core-hole as a reference state and ignores all the transient dynamics related to the screening of the core-hole. In this picture, the response of the system can be associated to the pair spectral function. On the other hand, in our numerical calculations, the core hole is created by a light pulse, allowing one to study the transient dynamics of the system in terms of the pulse duration and in the non-perturbative regime. Time-dependent density matrix renormalization group calculations reveal that the relaxation process involves the creation of a polarization cloud of doublon excitations that have an effect similar to photo-doping. As a consequence, there is a leak of spectral weight to higher energies into what otherwise would be the Mott gap. For longer pulses, these excited states, mostly comprised of doublons, can dominate the spectrum. By changing the duration of the light-pulse, the entire screening process can be resolved in time.

cond-mat.str-el↗

arXiv2023

A High-Performance Implementation of Atomistic Spin Dynamics Simulations on x86 CPUs

Atomistic spin dynamics simulations provide valuable information about the energy spectrum of magnetic materials in different phases, allowing one to identify instabilities and the nature of their excitations. However, the time cost of evaluating the dynamical correlation function $S(\mathbf{q}, t)$ increases quadratically as the number of spins $N$, leading to significant computational effort, making the simulation of large spin systems very challenging. In this work, we propose to use a highly optimized general matrix multiply (GEMM) subroutine to calculate the dynamical spin-spin correlation function that can achieve near-optimal hardware utilization. Furthermore, we fuse the element-wise operations in the calculation of $S(\mathbf{q}, t)$ into the in-house GEMM kernel, which results in further performance improvements of 44\% - 71\% on several relatively large lattice sizes when compared to the implementation that uses the GEMM subroutine in OpenBLAS, which is the state-of-the-art open source library for Basic Linear Algebra Subroutine (BLAS).

physics.comp-ph↗

arXiv2023

Capturing dynamical correlations using implicit neural representations

The observation and description of collective excitations in solids is a fundamental issue when seeking to understand the physics of a many-body system. Analysis of these excitations is usually carried out by measuring the dynamical structure factor, S(Q, $\omega$), with inelastic neutron or x-ray scattering techniques and comparing this against a calculated dynamical model. Here, we develop an artificial intelligence framework which combines a neural network trained to mimic simulated data from a model Hamiltonian with automatic differentiation to recover unknown parameters from experimental data. We benchmark this approach on a Linear Spin Wave Theory (LSWT) simulator and advanced inelastic neutron scattering data from the square-lattice spin-1 antiferromagnet La$_2$NiO$_4$. We find that the model predicts the unknown parameters with excellent agreement relative to analytical fitting. In doing so, we illustrate the ability to build and train a differentiable model only once, which then can be applied in real-time to multi-dimensional scattering data, without the need for human-guided peak finding and fitting algorithms. This prototypical approach promises a new technology for this field to automatically detect and refine more advanced models for ordered quantum systems.

cond-mat.str-el↗

arXiv2022

Neural network representation for minimally entangled typical thermal states

Minimally entangled typical thermal states (METTS) are a construction that allows one to to solve for the imaginary time evolution of quantum many body systems. By using wave functions that are weakly entangled, one can take advantage of efficient representations in the form of matrix product states. We generalize these ideas to arbitrary variational wave functions and we focus, as illustration, on the particular case of restricted Boltzmann machines. The imaginary time evolution is carried out using stochastic reconfiguration (natural gradient descent), combined with Monte Carlo sampling. Since the time evolution takes place on the tangent space, deviations between the actual path in the Hilbert space and the trajectory on the variational manifold can be important, depending on the internal structure and expressivity of the variational states. We show how these differences translate into a rescaled temperature and demonstrate the application of the method to quantum spin systems in one and two spatial dimensions.

cond-mat.str-el↗

arXiv2022

Ferromagnetism and doublon localization in a Wannier-Hubbard chain

We derive a "Wannier-Hubbard" model consisting of an array of overlapping atomic orbitals interacting via a local Coulomb interaction. Transforming to an orthogonal Wannier basis set, the resulting Hamiltonian displays long range hopping and interactions, with new terms such as correlated hopping and ferromagnetic direct exchange, among others. We numerically study the one-dimensional version of the model at half-filling using the density matrix renormalization group (DMRG) method, unveiling a rich phase diagram as a function of the interaction $U$ and the overlap $s$ with metallic, and ferromagnetic phases, separated by a ferrimagnetic region. Our results indicate a path toward understanding new emergent phases under pressure and beyond standard model Hamiltonians.

cond-mat.str-el↗

arXiv2021

The fate of pairing and spin-charge separation in the presence of long-range antiferromagnetism

We present a numerical study of competing orders in the 1D $t$-$J$ model with long-range RKKY-like staggered spin interactions. By circumventing the constraints imposed by Mermin-Wagner's theorem, this Hamiltonian can realize long-range N\'eel order at half-filling. We determine the full phase diagram as a function of the exchange and particle density using the density matrix renormalization group (DMRG) method. We show that pairing is disfavored and the AFM insulator and metallic phases are separated by a broad regime with phase segregation, before spin-charge separation re-emerges at low densities. Upon doping, interactions induce a confining potential that binds holons and spinons into full fledged fermionic quasi-particles in a range of parameters and densities. We numerically calculate the photoemission spectrum of the model, showing the appearance of a coherent quasi-particle band splitting away from the holon-spinon continuum with a width determined by $J$ that survives at finite doping. Comparison with analytical results using the self-consistent Born approximation (SCBA) and by solving the spinon-holon problem offer insight into the internal structure of the quasi-particles and help us explain the different features in the spectrum. We discuss how this simple toy-model can teach us about the phenomenology of its higher dimensional counterpart.

cond-mat.str-el↗

arXiv2019

Qubit-photon corner states in all dimensions

A single quantum emitter coupled to a one-dimensional photon field can perfectly trap a photon when placed close to a mirror. This occurs when the interference between the emitted and reflected light is completely destructive, leading to photon confinement between the emitter and the mirror. In higher dimensions, the spread of the light field in all directions hinders interference and, consequently, photon trapping by a single emitter is considered to be impossible. In this work, we show that is not the case by proving that a single emitter can indeed trap light in any dimension. We provide a constructive recipe based on judiciously coupling an emitter to a photonic crystal-like bath with properly designed open boundary conditions. The directional propagation of the photons in such baths enables perfect destructive interference, forming what we denote as \emph{qubit-photon corner states}. We characterize these states in all dimensions, showing that they are robust under fluctuations of the emitter's properties, and persist also in the ultrastrong coupling regime.

quant-ph↗

arXiv2018

Unconventional field induced phases in a quantum magnet formed by free radical tetramers

We report experimental and theoretical studies on the magnetic and thermodynamic properties of NIT-2Py, a free radical-based organic magnet. From magnetization and specific heat measurements we establish the temperature versus magnetic field phase diagram which includes two Bose-Einstein condensates (BEC) and an infrequent half magnetization plateau. Calculations based on density functional theory demonstrates that magnetically this system can be mapped to a quasi-two-dimensional structure of weakly coupled tetramers. Density matrix renormalization group calculations show the unusual characteristics of the BECs where the spins forming the low-field condensate are different than those participating in the high-field one.

cond-mat.str-el↗

arXiv2012

One-dimensional itinerant interacting non-Abelian anyons

We construct models of interacting itinerant non-Abelian anyons moving along one-dimensional chains. We focus on itinerant Ising (Majorana) and Fibonacci anyons, which are, respectively, related to SU(2)_2 and SU(2)_3 anyons and also, respectively, describe quasiparticles of the Moore-Read and Z_3-Read-Rezayi fractional quantum Hall states. Following the derivation of the electronic large-U effective Hubbard model, we derive effective anyonic t-J models for the low-energy sectors. Solving these models by exact diagonalization, we find a fractionalization of the anyons into charge and (neutral) anyonic degrees of freedom -- a generalization of spin-charge separation of electrons which occurs in Luttinger liquids. A detailed description of the excitation spectrum can be performed by combining spectra for charge and anyonic sectors. The anyonic sector is the one of a squeezed chain of localized interacting anyons, and hence is described by the same conformal field theory (CFT), with central charge c=1/2 for Ising anyons and c=7/10 or c=4/5 for Fibonacci anyons with antiferromagnetic or ferromagnetic coupling, respectively. The charge sector is the spectrum of a chain of hardcore bosons subject to phase shifts which coincide with the momenta of the combined anyonic eigenstates, revealing a subtle coupling between charge and anyonic excitations at the microscopic level (which we also find to be present in Luttinger liquids), despite the macroscopic fractionalization. The combined central charge extracted from the entanglement entropy between segments of the chain is shown to be 1+c, where c is the central charge of the underlying CFT of the localized anyon (squeezed) chain.

cond-mat.str-el↗

arXiv2012

Magnetostriction and magnetic texture to 97.4 Tesla in frustrated SrCu2(BO3)2

Strong geometrical frustration in magnets leads to exotic states, such as spin liquids, spin supersolids and complex magnetic textures. SrCu2(BO3)2, a spin-1/2 Heisenberg antiferromagnet in the archetypical Shastry-Sutherland lattice, exhibits a rich spectrum of magnetization plateaus and stripe-like magnetic textures in applied fields. The structure of these plateaus is still highly controversial due to the intrinsic complexity associated with frustration and competing length scales. We reveal new magnetic textures in SrCu2(BO3)2 via magnetostriction and magnetocaloric measurements in fields up to 97.4 Tesla. In addition to observing the low-field fine structure of the plateaus with unprecedented resolution, the data also reveal lattice responses at 82 T and at 73.6 T which we attribute, using a controlled density matrix renormalization group approach, to the long-predicted 1/2-saturation plateau, and to a new 2/5 plateau.

cond-mat.str-el↗

arXiv2012

General method for calculating the universal conductance of strongly correlated junctions of multiple quantum wires

We develop a method to extract the universal conductance of junctions of multiple quantum wires, a property of systems connected to reservoirs, from static ground-state computations in closed finite systems. The method is based on a key relationship, derived within the framework of boundary conformal field theory, between the conductance tensor and certain ground state correlation functions. Our results provide a systematic way of studying quantum transport in the presence of strong electron-electron interactions using efficient numerical techniques such as the standard time-independent density-matrix renormalization-group method. We give a step-by-step recipe for applying the method and present several tests and benchmarks. As an application of the method, we calculate the conductance of the M fixed point of a Y junction of Luttinger liquids for several values of the Luttinger parameter $g$ and conjecture its functional dependence on $g$.

cond-mat.str-el↗

arXiv2010

How to find conductance tensors of quantum multi-wire junctions through static calculations: application to an interacting Y-junction

Conductance is related to dynamical correlation functions which can be calculated with \textit{time-dependent} methods. Using boundary conformal field theory, we relate the conductance tensors of quantum junctions of multiple wires to static correlation functions in a finite system. We then propose a general method for determining the conductance through \textit{time-independent} calculations alone. Applying the method to a Y-junction of interacting quantum wires, we numerically verify the theoretical prediction for the conductance of the chiral fixed-point of the Y-junction and then calculate the thus far unknown conductance of its M fixed point with time-independent density matrix renormalization group method.

cond-mat.mes-hall↗

arXiv2008

Non-equilibrium transport through a point contact in the $ν=5/2$ non-Abelian quantum Hall state

We analyze charge-$e/4$ quasiparticle tunneling between the edges of a point contact in a non-Abelian model of the $ν=5/2$ quantum Hall state. We map this problem to resonant tunneling between attractive Luttinger liquids and use the time-dependent density-matrix renormalization group (DMRG) method to compute the current through the point contact in the presence of a {\it finite voltage difference} between the two edges. We confirm that, as the voltage is decreases, the system is broken into two pieces coupled by electron hopping. In the limits of small and large voltage, we recover the results expected from perturbation theory about the infrared and ultraviolet fixed points. We test our methods by finding the analogous non-equilibrium current through a point contact in a $ν=1/3$ quantum Hall state, confirming the Bethe ansatz solution of the problem.

cond-mat.mes-hall↗