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Quantum Phases of Nanosystems (Final Report)

This project addressed phenomena at the intersection of four of the major themes of contemporary condensed matter physics: states of matter with strong correlations among the electrons, open quantum systems, quantum systems far from equilibrium, and interfaces between distinct types of quantum matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Magnetic hysteresis experiments performed on quantum annealers

While quantum annealers have emerged as versatile and controllable platforms for experimenting on correlated spin systems, the important phenomenology of magnetic memory and hysteresis remain unexplored on hardware designed to escape metastable states via quantum tunneling. Here, we present the first general protocol to experiment on magnetic hysteresis on programmable quantum annealers and implement it on three D-Wave superconducting qubit quantum annealers, using up to thousands of spins, for both ferromagnetic and disordered Ising models, and across different graph topologies. We observe hysteresis loops whose area depends nonmonotonically on quantum fluctuations, exhibiting both expected and unexpected features, such as disorder-induced steps and nonmonotonicities. Our work establishes quantum annealers as a platform for probing nonequilibrium emergent magnetic phenomena, thereby broadening the role of analog quantum computers into foundational questions in condensed matter physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

APS Science 2020 (Vol. 1)

The U.S. Department of Energy's Advanced Photon Source (APS) is one of the world’s most productive x-ray light source facilities. Each year, the APS provides high-brightness x-ray beams to a diverse community of more than 5,000 researchers in materials science, chemistry, condensed matter physics, the life and environmental sciences, and applied research. Researchers using the APS produce over 2,000 publications each year detailing impactful discoveries, and solve more vital biological protein structures than users of any other x-ray light source research facility. APS x-rays are ideally suited for explorations of materials and biological structures; elemental distribution; chemical, magnetic, electronic states; and a wide range of technologically important engineering systems from batteries to fuel injector sprays, all of which are the foundations of our nation’s economic, technological, and physical well-being. The APS occupies an 80-acre site on the Argonne campus, about 25 miles from downtown Chicago, Illinois. It shares a site with the Center for Nanoscale Materials and the Advanced Protein Characterization Facility.

25 ENERGY STORAGE↗

APS Science 2020 (Vol. 2)

The U.S. Department of Energy's Advanced Photn Source (APS) is one of the world’s most productive x-ray light source facilities. Each year, the APS provides high-brightness x-ray beams to a diverse community of more than 5,000 researchers in materials science, chemistry, condensed matter physics, the life and environmental sciences, and applied research. Researchers using the APS produce over 2,000 publications each year detailing impactful discoveries, and solve more vital biological protein structures than users of any other x-ray light source research facility. APS x-rays are ideally suited for explorations of materials and biological structures; elemental distribution; chemical, magnetic, electronic states; and a wide range of technologically important engineering systems from batteries to fuel injector sprays, all of which are the foundations of our nation’s economic, technological, and physical well-being. The APS occupies an 80-acre site on the Argonne campus, about 25 miles from downtown Chicago, Illinois. It shares a site with the Center for Nanoscale Materials and the Advanced Protein Characterization Facility.

01 COAL, LIGNITE, AND PEAT↗

Emergent Dimer-Model Topological Order and Quasiparticle Excitations in Liquid Crystals: Combinatorial Vortex Lattices

Liquid crystals have proven to provide a versatile experimental and theoretical platform for studying topological objects such as vortices, skyrmions, and hopfions. In parallel, in hard condensed matter physics, the concept of topological phases and topological order has been introduced in the context of spin liquids to investigate emergent phenomena like quantum Hall effects and high-temperature superconductivity. Here, we bridge these two seemingly disparate perspectives on topology in physics. Combining experiments and simulations, we show how topological defects in liquid crystals can be used as versatile building blocks to create complex, highly degenerate topological phases, which we refer to as “combinatorial vortex lattices” (CVLs). CVLs exhibit extensive residual entropy and support locally stable quasiparticle excitations in the form of charge-conserving topological monopoles, which can act as mobile information carriers and be linked via Dirac strings. CVLs can be rewritten and reconfigured on demand, endowed with various symmetries, and modified through laser-induced topological surgery—an essential capability for information storage and retrieval. We demonstrate experimentally the realization, stability, and precise optical manipulation of CVLs, thus opening new avenues for understanding and technologically exploiting higher-hierarchy topology in liquid crystals and other ordered media.

36 MATERIALS SCIENCE↗

Reconstruction and uncertainty quantification of lattice Hamiltonian model parameters from observations of microscopic degrees of freedom

The emergence of scanning probe and electron beam imaging techniques has allowed quantitative studies of atomic structure and minute details of electronic and vibrational structure on the level of individual atomic units. These microscopic descriptors, in turn, can be associated with local symmetry breaking phenomena, representing the stochastic manifestation of the underpinning generative physical model. In this work, we explore the reconstruction of exchange integrals in the Hamiltonian for a lattice model with two competing interactions from observations of microscopic degrees of freedom and establish the uncertainties and reliability of such analysis in a broad parameter-temperature space. In contrast to other approaches, we specifically specify a loss function inherent to thermodynamic systems and utilize it to estimate uncertainty in simulated realizations of different models. As an ancillary task, we develop a machine learning approach based on histogram clustering to predict phase diagrams efficiently using a reduced descriptor space. We further demonstrate that reconstruction is possible well above the phase transition and in the regions of parameter space when the macroscopic ground state of the system is poorly defined due to frustrated interactions. This suggests that this approach can be applied to the traditionally complex problems of condensed matter physics such as ferroelectric relaxors and morphotropic phase boundary systems, spin and cluster glasses, and quantum systems once the local descriptors linked to the relevant physical behaviors are known.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Stable Higgs mode in anisotropic quantum magnets

Low-energy excitations associated with the amplitude fluctuation of an order parameter in condensed-matter systems can mimic the Higgs boson, an elementary particle in the standard model, and are dubbed as Higgs modes. Identifying the condensed-matter Higgs mode is challenging because it is known in many cases to decay rapidly into other low-energy bosonic modes, which renders the Higgs mode invisible. Therefore, it is desirable to find a way to stabilize the Higgs mode, which can offer an insight into the stabilization mechanism of the Higgs mode in condensed-matter physics. In quantum magnets, magnetic order caused by spontaneous symmetry breaking supports transverse (magnons) and longitudinal (Higgs modes) fluctuations. Additionally, when a continuous symmetry is broken, the Goldstone magnon mode generally has an excitation energy lower than that of the Higgs mode, causing a rapid decay of the latter. In this work, we show that a stable Higgs mode exists in anisotropic quantum magnets near the quantum critical point between the dimerized and magnetically ordered phases. We find that an easy axis anisotropy increases the magnon gap such that the magnon mode is above the Higgs mode near the quantum critical point, and the decay of the Higgs mode into the magnon mode is forbidden kinematically. Our results suggest that the anisotropic quantum magnets provide ideal platforms to explore the Higgs physics in condensed-matter systems.

36 MATERIALS SCIENCE↗

Quantum criticality and topology in non-equilibrium systems

A key goal of condensed matter physics research is to identify new phases of matter, and to understand the universal features of the phase transitions between them. In the past decade, physicists have uncovered a wealth of new phases with interesting surface properties, exemplified by the theoretical prediction and subsequent experimental discovery of topological insulators and superconductors. Traditional condensed matter systems are usually in a thermal equilibrium state and typically at very low temperature. Very recently, experimental advances have sparked interest in the non-equilibrium setting. Non-equilibrium systems can host new phases and phenomena with no equilibrium counterpart, and could also enable robust ways to build quantum memory devices to store and manipulate quantum information in a coherent manner. These phases and phenomena are inherently “dynamical”: they are described not by changes in the arrangement or structure of the constituent particles, but instead marked by sharp distinctions in how the particles move and exchange energy or quantum information. The discovery of robust non-equilibrium phases raises many fundamental questions: Can we develop a systematic theory of states of matter and of dynamical transitions between such states? How can such states be realized and probed experimentally? The main goal of this project was to explore the emergence of topological phases and quantum criticality (two cornerstones of modern condensed matter physics in equilibrium) in such non-equilibrium quantum systems. Specific goals included (1) using tensor networks to efficiently represent non-equilibrium states of matter and their phase transitions; (2) studying and designing new probes for periodically driven systems; and (3) developing analytic and numerical tools to analyze non-equilibrium topological phase transitions. Advances in these directions were achieved using novel techniques appropriate to study the non-equilibrium dynamics in many-body quantum systems combining strong interactions and randomness. Taken together, these results provide a new conceptual framework for understanding the emergence of quantum critical and topological properties in quantum systems far from thermal equilibrium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Reconstructing thermal quantum quench dynamics from pure states

Simulating the nonequilibrium dynamics of thermal states is a fundamental problem across scales from high-energy to condensed-matter physics. Quantum computers may provide a way to solve this problem efficiently. Preparing a thermal state on a quantum computer is challenging, but there exist methods to circumvent this by computing a weighted sum of time-dependent matrix elements in a convenient basis. Further, while the number of basis states can be large, in this paper we show that it can be reduced by simulating only the largest density matrix elements by weight, capturing the density matrix to a specified precision. Leveraging Hamiltonian symmetries enables further reductions. This approach paves the way to more accurate thermal-state dynamics simulations on near-term quantum hardware.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Experimental evidence of plasmarons and effective fine structure constant in electron-doped graphene/h-BN heterostructure

Electron-electron interaction is fundamental in condensed matter physics and can lead to composite quasiparticles called plasmarons, which strongly renormalize the dispersion and carry information of electron-electron coupling strength as defined by the effective fine structure constant $α$ $^{*}_{ee}$. Although h-BN with unique dielectric properties has been widely used as an important substrate for graphene, so far there is no experimental report of plasmarons in graphene/h-BN yet. Here, we report direct experimental observation of plasmaron dispersion in graphene/h-BN heterostructures through angle-resolved photoemission spectroscopy (ARPES) measurements upon in situ electron doping. Characteristic diamond-shaped dispersion is observed near the Dirac cone in both 0° (aligned) and 13.5° (twisted) graphene/h-BN, and the electron-electron interaction strength $α$ $^{*}_{ee}$ is extracted to be $α$ $^{*}_{ee}$ ≈ 0.9 ± 0.1, highlighting the important role of electron-electron interaction. Our results suggest graphene/h-BN as an ideal platform for investigating strong electron-electron interaction with weak dielectric screening, and lays fundamental physics for gate-tunable nano-electronics and nano-plasmonics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Physical interpretation of large Lorentz violation via Weyl semimetals

The physical intepretation of effective field theories of fundamental interactions incorporating large Lorentz violation is a long-standing challenge, known as the concordance problem. In condensed-matter physics, certain Weyl semimetals with emergent Lorentz invariance exhibit large Lorentz violation, thereby offering prospective laboratory analogues for exploration of this issue. We take advantage of the mathematical equivalence between the descriptions of large Lorentz violation in fundamental and condensed-matter physics to investigate the primary aspects of the concordance problem, which arise when the coefficients for Lorentz violation are large or the observer frame is highly boosted. Using thermodynamic arguments, we present a physical solution to the concordance problem and explore some implications.

Lorentz violation↗

Emergent quasi-two-dimensional metallic state derived from the Mott-insulator framework

Recent quasi-two-dimensional (quasi-2D) systems with judicious exploitation of the atomic monolayer or few-layer architecture exhibit unprecedented physical properties that challenge the conventional wisdom on condensed matter physics. Here we show that the infinite layer SrCuO 2 (SCO), a topical cuprate Mott insulator in bulk form, can manifest an unexpected metallic state in the quasi-2D limit when SCO is grown on TiO 2 -terminated SrTiO 3 (STO) substrates. The sheet resistance does not conform to Landau's Fermi liquid paradigm. Hard x-ray core-level photoemission spectra demonstrate a definitive Fermi level that resembles the hole doped metal. Soft x-ray absorption spectroscopy also reveals features analogous to those of a hole doped Mott insulator. Based on these results, we conclude that the hole doping does not occur at the interfaces between SCO and STO; instead, it comes from the transient layers between the chain-type and the planar-type structures within the SCO slab. In conclusion, the present work reveals a metallic state in the infinite layer SCO and invites further examination to elucidate the spatial extent of this state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Collective states and charge density waves in the group IV transition metal trichalcogenides

It has been nearly a century since the original mechanism for charge density wave (CDW) formation was suggested by Peierls. Since then, the term has come to describe several related concepts in condensed matter physics, having their origin in either the electron–phonon or electron–electron interaction. The vast majority of CDW literature deals with systems that are metallic, where discussions of mechanisms related to the Fermi surface are valid. Recently, it has been suggested that semiconducting systems such as TiS 3 and TiSe 2 exhibit behavior related to CDWs. In such cases, the origin of the behavior is more subtle and intimately tied to electron–electron interactions. We introduce the different classifications of CDW systems that have been proposed and discuss work on the group IV transition metal trichalcogenides (TMTs) (ZrTe 3 , HfTe 3 , TiTe 3 , and TiS 3 ), which are an exciting and emergent material system whose members exhibit quasi-one-dimensional properties. TMTs are van der Waals materials and can be readily studied in the few-layer limit, opening new avenues to manipulating collective states. We emphasize the semiconducting compound TiS 3 and suggest how it can be classified based on available data. Although we can conjecture on the origin of the CDW in TiS 3 , further measurements are required to properly characterize it.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accurate prediction of mega-electron-volt electron beam properties from UED using machine learning

To harness the full potential of the ultrafast electron diffraction (UED) and microscopy (UEM), we must know accurately the electron beam properties, such as emittance, energy spread, spatial-pointing jitter, and shot-to-shot energy fluctuation. Owing to the inherent fluctuations in UED/UEM instruments, obtaining such detailed knowledge requires real-time characterization of the beam properties for each electron bunch. While diagnostics of these properties exist, they are often invasive, and many of them cannot operate at a high repetition rate. Here, we present a technique to overcome such limitations. Employing a machine learning (ML) strategy, we can accurately predict electron beam properties for every shot using only parameters that are easily recorded at high repetition rate by the detector while the experiments are ongoing, by training a model on a small set of fully diagnosed bunches. Applying ML as real-time noninvasive diagnostics could enable some new capabilities, e.g., online optimization of the long-term stability and fine single-shot quality of the electron beam, filtering the events and making online corrections of the data for time-resolved UED, otherwise impossible. This opens the possibility of fully realizing the potential of high repetition rate UED and UEM for life science and condensed matter physics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Giant electron–phonon coupling of the breathing plane oxygen phonons in the dynamic stripe phase of $\hbox {La}_{1.67}\hbox {Sr}_{0.33}\hbox {NiO}_4$

Doped antiferromagnets host a vast array of physical properties and learning how to control them is one of the biggest challenges of condensed matter physics. La 1.67 Sr 0.33 NiO 4 (LSNO) is a classic example of such a material. At low temperatures holes introduced via substitution of La by Sr segregate into lines to form boundaries between magnetically ordered domains in the form of stripes. The stripes become dynamic at high temperatures, but LSNO remains insulating presumably because an interplay between magnetic correlations and electron–phonon coupling localizes charge carriers. Magnetic degrees of freedom have been extensively investigated in this system, but phonons are almost completely unexplored. We searched for electron–phonon anomalies in LSNO by inelastic neutron scattering. Giant renormalization of plane Ni–O bond-stretching modes that modulate the volume around Ni appears on entering the dynamic charge stripe phase. Other phonons are a lot less sensitive to stripe melting. Dramatic overdamping of the breathing modes indicates that dynamic stripe phase may host small polarons. We argue that this feature sets electron–phonon coupling in nickelates apart from that in cuprates where breathing phonons are not overdamped and point out remarkable similarities with the colossal magnetoresistance manganites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantum criticality using a superconducting quantum processor

Quantum criticality emerges from the collective behavior of many interacting quantum particles, often at the transition between different phases of matter. It is one of the cornerstones of condensed matter physics, which we access on noisy intermediate-scale (NISQ) quantum devices by leveraging a dynamically driven phenomenon. Here we probe the critical properties of the one-dimensional quantum Ising model on a programmable superconducting quantum chip via a Kibble-Zurek process, obtain scaling laws, and estimate critical exponents despite inherent sources of errors on the hardware. In addition, we investigate how the improvement of NISQ computers (more qubits, less noise) will consolidate the computation of those universal physical properties. A one-parameter noise model captures the effect of imperfections and reproduces the experimental data. Its systematic study reveals that the noise, analogously to temperature, induces a new length scale in the system. We introduce and successfully verify modified scaling laws, directly accounting for the noise without any prior knowledge. It makes data analyses for extracting physical properties transparent to noise. By understanding how imperfect quantum hardware modifies the genuine properties of quantum states of matter, we enhance the power of NISQ processors considerably for addressing quantum criticality and potentially other phenomena and algorithms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Criticality of Two-Dimensional Disordered Dirac Fermions in the Unitary Class and Universality of the Integer Quantum Hall Transition

Two-dimensional (2D) Dirac fermions are a central paradigm of modern condensed matter physics, describing low-energy excitations in graphene, in certain classes of superconductors, and on surfaces of 3D topological insulators. At zero energy E=0, Dirac fermions with mass m are band insulators, with the Chern number jumping by unity at m=0. This observation lead Ludwig et al. [Phys. Rev. B 50, 7526 (1994)PRBMDO0163-182910.1103/PhysRevB.50.7526] to conjecture that the transition in 2D disordered Dirac fermions (DDF) and the integer quantum Hall transition (IQHT) are controlled by the same fixed point and possess the same universal critical properties. Given the far-reaching implications for the emerging field of the quantum anomalous Hall effect, modern condensed matter physics, and our general understanding of disordered critical points, it is surprising that this conjecture has never been tested numerically. In this work, we report the results of extensive numerics on the phase diagram and criticality of 2D DDF in the unitary class. We find a critical line at m=0, with an energy-dependent localization length exponent. At large energies, our results for the DDF are consistent with state-of-the-art numerical results ν IQH =2.56-2.62 from models of the IQHT. At E=0, however, we obtain ν 0 =2.30-2.36 incompatible with ν IQH . This result challenges conjectured relations between different models of the IQHT, and several interpretations are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Electrical control of magnetism by electric field and current-induced torques

The remanent magnetization of ferromagnets has long been studied and used to store binary information. While early magnetic memory designs relied on magnetization switching by locally generated magnetic fields, key insights in condensed matter physics later suggested the possibility of doing it by electrical means instead. In the 1990s, Slonczewski and Berger formulated the concept of current-induced spin torques in magnetic multilayers through which a spin-polarized current generated by a first ferromagnet may be used to switch the magnetization of a second one. This discovery drove the development of spin-transfer-torque magnetic random-access memories (MRAMs). More recent fundamental research revealed other types of current-induced torques named spin-orbit torques (SOTs) and will lead to a new generation of devices including SOT MRAMs and skyrmion-based devices. Parallel to these advances, multiferroics and their magnetoelectric coupling, first investigated experimentally in the 1960s, experienced a renaissance. Dozens of multiferroic compounds with new magnetoelectric coupling mechanisms were discovered and high-quality multiferroic films were synthesized (notably of BiFeO 3 ), also leading to novel device concepts for information and communication technology such as the magnetoelectric spin-orbit (MESO) transistor. The story of the electrical switching of magnetization, which is discussed in this review, is that of a dance between fundamental research (in spintronics, condensed matter physics, and materials science) and technology (MRAMs, MESO transistors, microwave emitters, spin diodes, skyrmion-based devices, components for neuromorphics, etc.). This pas de deux has led to major scientific and technological breakthroughs in recent decades (such as the conceptualization of pure spin currents, the observation of magnetic skyrmions, and the discovery of spin-charge interconversion effects). As a result, this field has not only propelled MRAMs into consumer electronics products but also fueled discoveries in adjacent research areas such as ferroelectrics or magnonics. Here, in this review, recent advances in the control of magnetism by electric fields and by current-induced torques are covered. Fundamental concepts in these two directions are reviewed first, their combination is then discussed, and finally current various families of devices harnessing the electrical control of magnetic properties for various application fields are addressed. The review concludes by giving perspectives in terms of both emerging fundamental physics concepts and new directions in materials science.

36 MATERIALS SCIENCE↗