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At least 991 records · Page 55

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↗

Superconducting quantum interference devices based set-up for probing current noise and correlations in three-terminal devices

We have implemented a new experimental set-up for precise measurements of current fluctuations in three-terminal devices. The system operates at very low temperatures (30 mK) and is equipped with three superconducting quantum interference devices (SQUIDs) as low noise current amplifiers. A SQUID input coil is connected to each terminal of a sample allowing the acquisition of time-dependent current everywhere in the circuit. From these traces, we can measure the current mean value, the noise, and cross-correlations between different branches of a device. In this paper, we present calibration results of noise and cross-correlations obtained using low impedance macroscopic resistors. From these results, we can extract the noise level of the set-up and show that there are no intrinsic correlations due to the measurement scheme. We also studied noise and correlations as a function of a dc current and estimated the electronic temperature of various macroscopic resistors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Correlated Nanoscale Analysis of the Emission from Wurtzite versus Zincblende (In,Ga)As/GaAs Nanowire Core–Shell Quantum Wells

Although the properties of wurtzite GaAs have been extensively researched during the past decade, little is known about the influence of the crystal polytype on ternary (In,Ga)As quantum well structures. We address this concern with a unique combination of correlated, spatially resolved measurement techniques on core–shell nanowires that contain extended segments of both the zincblende and wurtzite polytypes. Cathodoluminescence hyperspectral imaging reveals a blue-shift of the quantum well emission energy by 75 ± 15 meV in the wurtzite polytype segment. Nanoprobe X-ray diffraction and atom probe tomography enable k·p calculations for the specific sample geometry to reveal two comparable contributions to this shift. First, there is a 30% drop in In mole fraction going from the zincblende to the wurtzite segment. Second, the quantum well is under compressive strain, which has a much stronger impact on the hole ground state in the wurtzite than in the zincblende segment. Our findings illustrate the role of the crystal structure in tuning the emission of (In,Ga)As quantum wells and pave the way to exploit the possibilities of three-dimensional band gap engineering in core–shell nanowire heterostructures. At the same time, we have demonstrated an advanced characterization toolkit for the investigation of semiconductor nanostructures.

(In,Ga)As quantum well↗

Geometrical picture of the electron–electron correlation at the large- D limit

In electronic structure calculations, the correlation energy is defined as the difference between the mean field and the exact solution of the non relativistic Schrödinger equation. Such an error in the different calculations is not directly observable as there is no simple quantum mechanical operator, apart from correlation functions, that correspond to such quantity. Here, we use the dimensional scaling approach, in which the electrons are localized at the large-dimensional scaled space, to describe a geometric picture of the electronic correlation. Both, the mean field, and the exact solutions at the large-D limit have distinct geometries. Thus, the difference might be used to describe the correlation effect. Moreover, correlations can be also described and quantified by the entanglement between the electrons, which is a strong correlation without a classical analog. Entanglement is directly observable and it is one of the most striking properties of quantum mechanics and bounded by the area law for local gapped Hamiltonians of interacting many-body systems. This study opens up the possibility of presenting a geometrical picture of the electron–electron correlations and might give a bound on the correlation energy. Furthermore, the results at the large-D limit and at D = 3 indicate the feasibility of using the geometrical picture to get a bound on the electron–electron correlations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Statistical mechanics of the cluster Ising model

We study a Hamiltonian system describing a three-spin-1/2 clusterlike interaction competing with an Ising-like antiferromagnetic interaction. We compute free energy, spin-correlation functions, and entanglement both in the ground and in thermal states. The model undergoes a quantum phase transition between an Ising phase with a nonvanishing magnetization and a cluster phase characterized by a string order. Any two-spin entanglement is found to vanish in both quantum phases because of a nontrivial correlation pattern. Nevertheless, the residual multipartite entanglement is maximal in the cluster phase and dependent on the magnetization in the Ising phase. We study the block entropy at the critical point and calculate the central charge of the system, showing that the criticality of the system is beyond the Ising universality class.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Accessing bands with extended quantum metric in kagome Cs 2 Ni 3 S 4 through soft chemical processing

Flat bands that do not merely arise from weak interactions can produce exotic physical properties, such as superconductivity or correlated many-body effects. The quantum metric can differentiate whether flat bands will result in correlated physics or are merely dangling bonds. A potential avenue for achieving correlated flat bands involves leveraging geometrical constraints within specific lattice structures, such as the kagome lattice; however, materials are often more complex. In these cases, quantum geometry becomes a powerful indicator of the nature of bands with small dispersions. We present a simple, soft-chemical processing route to access a flat band with an extended quantum metric below the Fermi level. By oxidizing Ni-kagome material Cs 2 Ni 3 S 4 to CsNi 3 S 4 , we see a two orders of magnitude drop in the room temperature resistance. However, CsNi 3 S 4 is still insulating, with no evidence of a phase transition. Using experimental data, density functional theory calculations, and symmetry analysis, our results suggest the emergence of a correlated insulating state of unknown origin.

Science & Technology - Other Topics↗

Exploring the QCD phase diagram through correlations and fluctuations

The exploration of the Quantum Chromodynamics (QCD) phase diagram is a central goal of relativistic heavy-ion collision experiments. This review focuses on the role of fluctuations and correlations as sensitive probes of the phase structure. We discuss theoretical advancements and experimental methodologies employed to map the QCD phase diagram, highlighting constraints derived from both lattice QCD calculations and existing experimental data. Key observables such as cumulants and factorial cumulants of conserved charges (e.g., net-proton, net-charge) are explored as promising signatures of phase transitions and the QCD critical point. We discuss how these quantities are measured experimentally and compared with theoretical predictions, addressing challenges and best practices for meaningful comparisons. Special attention is given to predictions and current experimental results at high baryon density, including recent findings from the STAR collaboration at RHIC. Finally, we identify open issues and future directions for fluctuation and correlation studies at lower collision energies, relevant for future measurements, for example by the CBM experiment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Mott Transition in a Metallic Liquid: Gutzwiller Molecular Dynamics Simulations

We present here a formulation of quantum molecular dynamics that includes electron correlation effects via the Gutzwiller method. Our new scheme enables the study of the dynamical behavior of atoms and molecules with strong electron interactions. The Gutzwiller approach goes beyond the conventional mean-field treatment of the intra-atomic electron repulsion and captures crucial correlation effects such as band narrowing and electron localization. Finally, we use Gutzwiller quantum molecular dynamics to investigate the Mott transition in the liquid phase of a single-band metal and uncover intriguing structural and transport properties of the atoms.

74 ATOMIC AND MOLECULAR PHYSICS↗

Quantum Computational Advantage with String Order Parameters of One-Dimensional Symmetry-Protected Topological Order

Nonlocal games with advantageous quantum strategies give arguably the most fundamental demonstration of the power of quantum resources over their classical counterparts. Recently, certain multiplayer generalizations of nonlocal games have been used to prove unconditional separations between limited computational complexity classes of shallow-depth circuits. Here, we show advantageous strategies for these nonlocal games for generic ground states of one-dimensional symmetry-protected topological orders (SPTOs), when a discrete invariant of a SPTO known as a twist phase is nontrivial and -1. Finally, our construction demonstrates that sufficiently large string order parameters of such SPTOs are indicative of globally constrained correlations useful for the unconditional computational separation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Observation of Reentrant Correlated Insulators and Interaction-Driven Fermi-Surface Reconstructions at One Magnetic Flux Quantum per Moiré Unit Cell in Magic-Angle Twisted Bilayer Graphene

The discovery of flat bands with nontrivial band topology in magic-angle twisted bilayer graphene (MATBG) has provided a unique platform to study strongly correlated phenomena including superconductivity, correlated insulators, Chern insulators, and magnetism. A fundamental feature of the MATBG, so far unexplored, is its high magnetic field Hofstadter spectrum. Here, we report on a detailed magnetotransport study of a MATBG device in external magnetic fields of up to B = 3 1 T , corresponding to one magnetic flux quantum per moiré unit cell Φ 0 . At Φ 0 , we observe reentrant correlated insulators at a flat band filling factors of ν = + 2 and of ν = + 3 , and interaction-driven Fermi-surface reconstructions at other fillings, which are identified by new sets of Landau levels originating from these. These experimental observations are supplemented by theoretical work that predicts a new set of eight well-isolated flat bands at Φ 0 , of comparable band width, but with different topology than in zero field. Overall, our magnetotransport data reveal a qualitatively new Hofstadter spectrum in MATBG, which arises due to the strong electronic correlations in the reentrant flat bands.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Correlating Tomographic Chemical Inhomogeneity and Low Energy Electronic Structure in Layered Quantum Materials

Photoemission spectroscopy (PES) is a suite of experimental tools to learn about the electronic and chemical structure of materials and surfaces. Normally implemented in a surface-sensitive manner, the research performed under this grant focused on pushing PES into less explored regimes, to reveal bulk electronic structure, to reveal tomographic (layer-resolved) chemistry and electronic structure of layered materials and heterostructures, and to reveal interface phenomena at the junction of two different materials. Standing wave (SW) spectroscopies have also been applied to PdCoO2, a material of interest due to its high conductivity and electron-hydrodynamic tendencies. This material can be modeled as an alternating layered structure consisting of metallic Pd layers and insulating CoO2 layers. Using SW XPS, the total electronic structure has been decomposed into contributions from the two layers, and computations highlighted the different many-body interactions in the two layers (Comm. Phys. 4, 143 (2021)). We have also used hard-x-ray angle-resolved photoemission spectroscopy (ARPES), to investigate LaB6, a technologically important material with widespread application as a cathode material for electron microscopes. We measured the bulk electronic structure of this material and found that the one-step model of photoemission better captured the electronic structure and correlations. This model treats the three steps of the photoemission process—excitation, transport of the photoelectron to the crystal surface, and escape into the vacuum—as a single quantum mechanically coherent process (Phys. Rev. Mater. 5, 055002 (2021)). We also applied x-ray photoelectron spectroscopy, implemented in a near total reflection grazing incidence geometry to elucidate technologically relevant interfaces, such as those between a substrate and photoresist (J. Phys. D: Appl. Phys. 54 464002 (2021)).

36 MATERIALS SCIENCE↗

Pressure-tuned quantum criticality in the antiferromagnetic Kondo semimetal CeNi 2–δ As 2

The easily tuned balance among competing interactions in Kondo-lattice metals allows access to a zero-temperature, continuous transition between magnetically ordered and disordered phases, a quantum-critical point (QCP). Indeed, these highly correlated electron materials are prototypes for discovering and exploring quantum-critical states. Theoretical models proposed to account for the strange thermodynamic and electrical transport properties that emerge around the QCP of a Kondo lattice assume the presence of an indefinitely large number of itinerant charge carriers. Here, we report a systematic transport and thermodynamic investigation of the Kondo-lattice system CeNi 2–δ As 2 (δ ≈ 0.28) as its antiferromagnetic order is tuned by pressure and magnetic field to zero-temperature boundaries. These experiments show that the very small but finite carrier density of ~0.032 e – /formular unit in CeNi 2–δ As 2 leads to unexpected transport signatures of quantum criticality and the delayed development of a fully coherent Kondo-lattice state with decreasing temperature. Here, the small carrier density and associated semimetallicity of this Kondo-lattice material favor an unconventional, local-moment type of quantum criticality and raises the specter of the Nozières exhaustion idea that an insufficient number of conduction-electron spins to separately screen local moments requires collective Kondo screening.

36 MATERIALS SCIENCE↗

More exact results in the Wilson loop defect CFT: bulk-defect OPE, nonplanar corrections and quantum spectral curve

We perform here exact computations of correlation functions of 1/2-BPS local operators and protected operator insertions on the 1/8-BPS Wilson loop in $\mathcal{N}=4$ SYM. This generalizes the results of our previous paper arXiv:1802.05201, which employs supersymmetric localization, OPE and the Gram-Schmidt process. In particular, we conduct a detailed analysis for the 1/2-BPS circular (or straight) Wilson loop in the planar limit, which defines an interesting nontrivial defect CFT. We compute its bulk-defect structure constants at finite 't Hooft coupling, and present simple integral expressions in terms of the $Q$-functions that appear in the Quantum Spectral Curve---a formalism originally introduced for the computation of the operator spectrum. The results at strong coupling are found to be in precise agreement with the holographic calculation based on perturbation theory around the AdS$_2$ string worldsheet, where they correspond to correlation functions of open string fluctuations and closed string vertex operators inserted on the worldsheet. Along the way, we clarify several aspects of the Gram-Schmidt analysis which were not addressed in the previous paper. Specifically, we clarify the role played by the multi-trace operators at the non-planar level, and confirm its importance by computing the non-planar correction to the defect two-point function. We also provide a formula for the first non-planar correction to the defect correlators in terms of the Quantum Spectral Curve, which suggests the potential applicability of the formalism to the non-planar correlation functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian

Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is highly successful for treating weakly correlated systems but fails under strong correlation unless one sacrifices good quantum numbers and works with broken-symmetry wave functions, which is unphysical for finite systems. Symmetry projection is effective for the treatment of strong correlation at the mean-field level through multireference non-orthogonal configuration interaction wavefunctions, but unlike coupled cluster, it is neither size extensive nor ideal for treating dynamic correlation. We here examine different scenarios for merging these two dissimilar theories. We carry out this exercise over the integrable Lipkin model Hamiltonian, which despite its simplicity, encompasses non-trivial physics for degenerate systems and can be solved via diagonalization for a very large number of particles. We show how symmetry projection and coupled cluster doubles individually fail in different correlation limits, whereas models that merge these two theories are highly successful over the entire phase diagram. In conclusion, despite the simplicity of the Lipkin Hamiltonian, the lessons learned in this work will be useful for building an ab initio symmetry projected coupled cluster theory that we expect to be accurate in the weakly and strongly correlated limits, as well as the recoupling regime.

74 ATOMIC AND MOLECULAR PHYSICS↗

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian

Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is highly successful for treating weakly correlated systems, but fails under strong correlation unless one sacrifices good quantum numbers and works with broken-symmetry wave functions, which is unphysical for finite systems. Symmetry projection is effective for the treatment of strong correlation at the mean-field level through multireference non-orthogonal configuration interaction wavefunctions, but unlike coupled cluster, it is neither size extensive nor ideal for treating dynamic correlation. We here examine different scenarios for merging these two dissimilar theories. We carry out this exercise over the integrable Lipkin model Hamiltonian, which despite its simplicity, encompasses non-trivial physics for degenerate systems and can be solved via diagonalization for a very large number of particles. We show how symmetry projection and coupled cluster doubles individually fail in different correlation limits, whereas models that merge these two theories are highly successful over the entire phase diagram. Despite the simplicity of the Lipkin Hamiltonian, the lessons learned in this work will be useful for building an ab initio symmetry projected coupled cluster theory that we expect to be accurate in the weakly and strongly correlated limits, as well as the recoupling regime.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Twisted fracton models in three dimensions

We study novel three-dimensional gapped quantum phases of matter which support quasiparticles with restricted mobility, including immobile “fracton” excitations. So far, most existing fracton models may be instructively viewed as generalized Abelian lattice gauge theories. Here, by analogy with Dijkgraaf-Witten topological gauge theories, we discover a natural generalization of fracton models, obtained by twisting the gauge symmetries. Introducing generalized gauge transformation operators carrying an extra phase factor depending on local configurations, we construct a plethora of exactly solvable three-dimensional models, which we dub “twisted fracton models.” A key result of our approach is to demonstrate the existence of rich non-Abelian fracton phases of distinct varieties in a three-dimensional system with finite-range interactions. For an accurate characterization of these novel phases, the notion of being inextricably non-Abelian is introduced for fractons and quasiparticles with one-dimensional mobility, referring to their new behavior of displaying braiding statistics that is, and remains, non-Abelian regardless of which quasiparticles with higher mobility are added to or removed from them. We also analyze these models by embedding them on a 3-torus and computing their ground-state degeneracies, which exhibit a surprising and novel dependence on the system size in the non-Abelian fracton phases. Furthermore, as an important advance in the study of fracton order, we develop a general mathematical framework which systematically captures the fusion and braiding properties of fractons and other quasiparticles with restricted mobility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications

One of the primary challenges in quantum chemistry is the accurate modeling of strong electron correlation. While multireference methods effectively capture such correlation, their steep scaling with system size prohibits their application to large molecules and extended materials. Quantum embedding offers a promising solution by partitioning complex systems into manageable subsystems. In this Review, we highlight recent advances in multireference density matrix embedding and localized active space self-consistent field approaches for complex molecules and extended materials. We discuss both classical implementations and the emerging potential of these methods on quantum computers. Here, by extending classical embedding concepts to the quantum landscape, these algorithms have the potential to expand the reach of multireference methods in quantum chemistry and materials.

Algorithms↗