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At least 955 records · Page 53

Signature of Correlated Insulator in Electric Field Controlled Superlattice

On a two-dimensional crystal, a “superlattice” with nanometer-scale periodicity can be imposed to tune the Bloch electron spectrum, enabling novel physical properties inaccessible in the original crystal. While creating 2D superlattices by means of nanopatterned electric gates has been studied for band structure engineering in recent years, evidence of electron correlations-which drive many problems at the forefront of physics research-remains to be uncovered. Here, in this work, we demonstrate signatures of a correlated insulator phase in Bernal-stacked bilayer graphene modulated by a gate-defined superlattice potential, manifested as resistance peaks centered at integer multiples of single electron per superlattice unit cell carrier densities. The observation is consistent with the formation of a stack of flat low-energy bands due to the superlattice potential combined with inversion symmetry breaking. Our work paves the way to custom-designed superlattices for studying band structure engineering and strongly correlated electrons in 2D materials.

36 MATERIALS SCIENCE↗

Light induced non-volatile switching of superconductivity in single layer FeSe on SrTiO 3 substrate

The capability of controlling superconductivity by light is highly desirable for active quantum device applications. Since superconductors rarely exhibit strong photoresponses, and optically sensitive materials are often not superconducting, efficient coupling between these two characters can be very challenging in a single material. Here we show that, in FeSe/SrTiO 3 heterostructures, the superconducting transition temperature in FeSe monolayer can be effectively raised by the interband photoexcitations in the SrTiO 3 substrate. Attributed to a light induced metastable polar distortion uniquely enabled by the FeSe/SrTiO 3 interface, this effect only requires a less than 50 μWcm -2 continuous-wave light field. The fast optical generation of superconducting zero resistance state is non-volatile but can be rapidly reversed by applying voltage pulses to the back of SrTiO 3 substrate. The capability of switching FeSe repeatedly and reliably between normal and superconducting states demonstrate the great potential of making energy-efficient quantum optoelectronics at designed correlated interfaces.

36 MATERIALS SCIENCE↗

Quadrupolar excitons and hybridized interlayer Mott insulator in a trilayer moiré superlattice

Transition metal dichalcogenide (TMDC) moiré superlattices, owing to the moiré flatbands and strong correlation, can host periodic electron crystals and fascinating correlated physics. The TMDC heterojunctions in the type-II alignment also enable long-lived interlayer excitons that are promising for correlated bosonic states, while the interaction is dictated by the asymmetry of the heterojunction. Here we demonstrate a new excitonic state, quadrupolar exciton, in a symmetric WSe 2 -WS 2 -WSe 2 trilayer moiré superlattice. The quadrupolar excitons exhibit a quadratic dependence on the electric field, distinctively different from the linear Stark shift of the dipolar excitons in heterobilayers. This quadrupolar exciton stems from the hybridization of WSe 2 valence moiré flatbands. The same mechanism also gives rise to an interlayer Mott insulator state, in which the two WSe 2 layers share one hole laterally confined in one moiré unit cell. In contrast, the hole occupation probability in each layer can be continuously tuned via an out-of-plane electric field, reaching 100% in the top or bottom WSe 2 under a large electric field, accompanying the transition from quadrupolar excitons to dipolar excitons. Our work demonstrates a trilayer moiré system as a new exciting playground for realizing novel correlated states and engineering quantum phase transitions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Probing the Kitaev honeycomb model on a neutral-atom quantum computer

Quantum simulations of many-body systems are among the most promising applications of quantum computers. In particular, models based on strongly correlated fermions are central to our understanding of quantum chemistry and materials problems, and can lead to exotic, topological phases of matter. However, owing to the non-local nature of fermions, such models are challenging to simulate with qubit devices. Here we realize a digital quantum simulation architecture for two-dimensional fermionic systems based on reconfigurable atom arrays. We utilize a fermion-to-qubit mapping based on Kitaev’s model on a honeycomb lattice, in which fermionic statistics are encoded using long-range entangled states. We prepare these states efficiently using measurement and feedforward, realize subsequent fermionic evolution through Floquet engineering with tunable entangling gates interspersed with atom rearrangement, and improve results with built-in error detection. Leveraging this fermion description of the Kitaev spin model, we efficiently prepare topological states across its complex phase diagram and verify the non-Abelian spin-liquid phase by evaluating an odd Chern number. We further explore this two-dimensional fermion system by realizing tunable dynamics and directly probing fermion exchange statistics. Finally, we simulate strong interactions and study the dynamics of the Fermi–Hubbard model on a square lattice. These results pave the way for digital quantum simulations of complex fermionic systems for materials science, chemistry and high-energy physics.

atomic and molecular physics↗

Spatial distribution of organic functional groups supported on mesoporous silica nanoparticles (2): a study by 1 H triple-quantum fast-MAS solid-state NMR

The distribution of organic functional groups attached to the surface of mesoporous silica nanoparticles (MSNs) via co-condensation was scrutinized using 1D and 2D 1 H solid-state NMR, including the triple-quantum/single-quantum (TQ/SQ) homonuclear correlation technique. The excellent sensitivity of 1 H NMR and high resolution provided by fast magic angle spinning (MAS) allowed us to study surfaces with very low concentrations of aminopropyl functional groups. The sequential process, in which the injection of tetraethyl orthosilicate (TEOS) into the aqueous mother liquor was followed by dropwise addition of the organosilane precursor, resulted in deployment of organic groups on the surface, which were highly clustered even in a sample with a very low loading of ~0.1 mmol g -1 . The underlying mechanism responsible for clustering could involve fast aggregation of the aminopropyltrimethoxysilane (APTMS) precursor within the liquid phase, and/or co-condensation of the silica-bound molecules. Understanding the deposition process and the resulting topology of surface functionalities with atomic-scale resolution, can help to develop novel approaches to the synthesis of complex inorganic–organic hybrid materials.

36 MATERIALS SCIENCE↗

Exploring Three Nucleon Forces in Lattice QCD

We study the three nucleon force in N{sub f} = 2 dynamical clover fermion lattice QCD, utilizing the Nambu-Bethe-Salpeter wave function of the three nucleon system. Since parity-odd two nucleon potentials are not available in lattice QCD at this moment, we develop a new formulation to extract the genuine three nucleon force which requires only the information of parity-even two nucleon potentials. In order to handle the extremely expensive calculation cost, we consider a specific three-dimensional coordinate configuration for the three nucleons. We find that the linear setup is advantageous, where nucleons are aligned linearly with equal spacings. The lattice calculation is performed with 16{sup 3}x32 configurations at {beta} = 1.95, m{sub {pi}} = 1.13 GeV generated by CP-PACS Collaboration, and the result of the three nucleon force in triton channel is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Photoluminescence properties of Tb-Eu-Mn-codoped fluoroborate glasses under γ-irradiation

We report here an energy transfer from Tb{sup 3+} to Eu{sup 3+}, Mn{sup 2+} and Eu{sup 2+} to Tb{sup 3+} and Mn{sup 2+} for an un-irradiated and γ-irradiated B{sub 2}O{sub 3}-Al{sub 2}O{sub 3}-Na{sub 2}O-SrF{sub 2} glass samples, respectively. The blue emission from Eu{sup 2+} ions as well as green and red emission from Tb{sup 3+}, Eu{sup 3+}, and Mn{sup 2+} ions will contribute to the generation of white light while excited at 339 nm using a xenon lamp. Furthermore, the chromaticity color coordinates, correlated color temperature, and quantum efficiency parameters are calculated for all the glass samples, and their relative variations with respect to γ-irradiation dose are presented.

36 MATERIALS SCIENCE↗

Mixed quantal-semiquantal dynamics with stochastic particles for backreaction

A mixed quantal-semiquantal theory is presented in which the semiquantal squeezed-state wave packet describes the heavy degrees of freedom. Starting from the mean-field equations of motion that are naturally derived from the time-dependent variational principle, we introduce the stochastic particle description for both the quantal and semiquantal parts in an aim to take into account the interparticle correlation, in particular the “quantum backreaction” beyond the mean-field approximation. A numerical application on a model of O{sub 2} scattering from a Pt surface demonstrates that the proposed scheme gives correct asymptotic behavior of the scattering probability, with improvement over the mixed quantum-classical scheme with Bohmian particles, which is comprehended by comparing the Bohmian and the stochastic trajectories.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Toward DMRG-tailored coupled cluster method in the 4c-relativistic domain

There are three essential problems in computational relativistic chemistry: Electrons moving at relativistic speeds, close lying states, and dynamical correlation. Currently available quantum-chemical methods are capable of solving systems with one or two of these issues. However, there is a significant class of molecules in which all the three effects are present. These are the heavier transition metal compounds, lanthanides, and actinides with open d or f shells. For such systems, sufficiently accurate numerical methods are not available, which hinders the application of theoretical chemistry in this field. In this paper, we combine two numerical methods in order to address this challenging class of molecules. These are the relativistic versions of coupled cluster methods and the density matrix renormalization group (DMRG) method. To the best of our knowledge, this is the first relativistic implementation of the coupled cluster method externally corrected by DMRG. The method brings a significant reduction of computational costs as we demonstrate on the system of TlH, AsH, and SbH.

Brandejs, Jan (ORCID:0000000221073095)↗

Accurate prediction of global-density-dependent range-separation parameters based on machine learning

In this work, we develop an accurate and efficient XGBoost machine learning model for predicting the global-density-dependent range-separation parameter, ωGDD, for long-range corrected functional (LRC)-ωPBE. This ωGDDML model has been built using a wide range of systems (11 466 complexes, ten different elements, and up to 139 heavy atoms) with fingerprints for the local atomic environment and histograms of distances for the long-range atomic correlation for mapping the quantum mechanical range-separation values. The promising performance on the testing set with 7046 complexes shows a mean absolute error of 0.001 117 a0−1 and only five systems (0.07%) with an absolute error larger than 0.01 a0−1, which indicates the good transferability of our ωGDDML model. In addition, the only required input to obtain ωGDDML is the Cartesian coordinates without electronic structure calculations, thereby enabling rapid predictions. LRC-ωPBE(ωGDDML) is used to predict polarizabilities for a series of oligomers, where polarizabilities are sensitive to the asymptotic density decay and are crucial in a variety of applications, including the calculations of dispersion corrections and refractive index, and surpasses the performance of all other popular density functionals except for the non-tuned LRC-ωPBE. Finally, LRC-ωPBE (ωGDDML) combined with (extended) symmetry-adapted perturbation theory is used in calculating noncovalent interactions to further show that the traditional ab initio system-specific tuning procedure can be bypassed. The present study not only provides an accurate and efficient way to determine the range-separation parameter for LRC-ωPBE but also shows the synergistic benefits of fusing the power of physically inspired density functional LRC-ωPBE and the data-driven ωGDDML model.

Chemistry↗

Lattice QCD at non-zero isospin chemical potential

Systems of non-zero isospin chemical potential are studied from a canonical approach by computing correlation functions with the quantum numbers of N π(+)'s (C(N)(π)). In order to reduce the number of contractions required in calculating C(N)(π) for a large N in the Wick's theorem, we constructed a few new algorithms. With these new algorithms, systems with isospin charge up to 72 are investigated on three anisotropic gauge ensembles with a pion mass of 390 MeV, and with lattice spatial extents L ~ 2.0, 2.5, 3.0 fm. The largest isospin density of ρ(I) thickapprox 9 fm(-)(3) is achieved in the smallest volume, and the QCD phase diagram is investigated at a fixed low temperature at varying isospin chemical potentials, m(π) ≤ μ(I) ≤ 4.5 m(π). By investigating the behaviour of the extracted energy density of the system at different isospin chemical potentials, we numerically identified the conjectured transition to a Bose-Einstein condensation state at μ(I) ≥ m(π).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Integrable model of topological SO(5) superfluidity

Assisted by general symmetry arguments and a many-body invariant, we introduce a phase of matter that constitutes a topological SO(5) superfluid. Key to this finding is the realization of an exactly solvable model that displays some similarities with a minimal model of superfluid 3 He. We study its quantum phase diagram and correlations, and find exotic superfluid as well as metallic phases in the repulsive sector. At the critical point separating trivial and nontrivial superfluid phases, our Hamiltonian reduces to the globally SO(5)-symmetric Gaudin model with a degenerate ground manifold that includes quartet states. Most importantly, the exact solution permits uncovering of an interesting non-pair-breaking mechanism for superfluids subject to external magnetic fields. Furthermore, nonintegrable modifications of our model lead to a strong-coupling limit of our metallic phase with a ground-state manifold that shows an extensive entropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quasi-deuteron model at low renormalization group resolution

The quasi-deuteron model introduced by Levinger is used to explain cross sections for knocking out high-momentum protons in photoabsorption on nuclei. This is within a framework we characterize as exhibiting high renormalization group (RG) resolution. Assuming a one-body reaction operator, the nuclear wave function must include two-body short-range correlations (SRCs) with deuteronlike quantum numbers. In Phys. Rev. C 104, 034311 (2021), we showed that SRC physics can be naturally accounted for at low RG resolution. We describe the quasi-deuteron model at low RG resolution and determine the Levinger constant, which is proportional to the ratio of nuclear photoabsorption to that for photodisintegration of a deuteron. We extract the Levinger constant based on the ratio of momentum distributions at high relative momentum. We compute momentum distributions evolved under similarity RG (SRG) transformations where the SRC physics is shifted into the operator as a universal two-body term. The short-range nature of this operator motivates using local-density approximations with uncorrelated wave functions in evaluating nuclear matrix elements, which greatly simplifies the analysis. The operator must be consistently matched to the RG scale and scheme of the interaction for a reliable extraction. We apply SRG transformations to different nucleon-nucleon (NN) interactions and use the deuteron wave functions and Weinberg eigenvalues to determine approximate matching scales. We predict the Levinger constant for several NN interactions and a wide range of nuclei comparing to experimental extractions. The predictions at low RG resolution are in good agreement with experiment when starting with a hard NN interaction and the initial operator. Similar agreement is found using soft NN interactions when the additional two-body operator induced by evolution from hard to soft is included.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Quark flavor balancing in nuclear collisions

The notion of charge balance function, originally designed to study the evolution of charge production in heavy-ion collisions, is extended to consider quark flavor balancing. This extension is considered based on simulations performed with the PYTHIA 8 event generator in the context of pp collisions at √𝑠 = 13.6, 7, and 2.76 TeV but can be trivially applied to any other scenario and implemented in measurements of correlated particle production in pp, pA, and AA collisions at colliders. Correlation of selected flavor balancing pairs is examined as a function of the produced charged particle multiplicity. One finds that the amplitude of the correlations increases monotonically with the number of balanced flavors and the actual flavor content of correlated particles.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Rapidity dependence of initial state geometry and momentum correlations in p + Pb collisions

Event geometry and initial state correlations have been invoked as possible explanations of long range azimuthal correlations observed in high multiplicity p+p and p+Pb collisions. We study the rapidity dependence of initial state momentum correlations and event-by-event geometry in √s = 5.02 TeV p+Pb collisions within the 3+1D IP-Glasma model [1], where the longitudinal structure is governed by JIMWLK rapidity evolution of the incoming nuclear gluon distributions. Furthermore, we find that the event geometry is correlated across large rapidity intervals whereas initial state momentum correlations are relatively short range in rapidity. Based on our results, we discuss implications for the relevance of both effects in explaining the origin of collective phenomena in small systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Exploring correlations in the CGC wave function: Odd azimuthal anisotropy

In this paper, we extend the color glass condensate (CGC) approach to a calculation of the double inclusive gluon production by including the high density effect in the CGC wave function of the projectile (proton). Our main result is that these effects lead to the appearance of odd harmonics in the two particle correlation C(k,p). We find that in the high momentum limit, |k|, |p| >> Q s , this results in a positive c 1 {2}. Additionally when the magnitudes of the two momenta are approximately equal, |k|/|p| ≈ 1, the density effects also generate a positive third harmonic c 3 {2}, which translates into a nonvanishing v 3 when the momenta of the trigger and an associated particle are in the same momentum bin. Finally, the sign of c 3 {2} becomes negative when |k|/|p| > 1.1 suggesting an interesting experimental signature.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Observable signatures of initial state momentum anisotropies in nuclear collisions

In this work, we show that the correlation between the elliptic momentum anisotropy v 2 and the average transverse momentum [ p T ] at fixed multiplicity in small system nuclear collisions carries information on the origin of the observed momentum anisotropy. A calculation using a hybrid IP-Glasma+ music +UrQMD model that includes contributions from final state response to the initial geometry as well as initial state momentum anisotropies of the color glass condensate predicts a characteristic sign change of the correlator ρ ^ ( v 2 2 , [ p T ] ) as a function of charged particle multiplicity in p + Au and d + Au collisions at s = 200 GeV , and p + Pb collisions at s = 5.02 TeV . This sign change is absent in calculations without initial state momentum anisotropies. The model further predicts a qualitative difference between the centrality dependence of ρ ^ ( v 2 2 , [ p T ] ) in Au + Au collisions at s = 200 GeV and Pb + Pb collisions at s = 5.02 TeV , with only the latter showing a sign change in peripheral events. Predictions for O + O collisions at different collision energy show a similar behavior. Experimental observation of these distinct qualitative features of ρ ^ ( v 2 2 , [ p T ] ) in small and large systems would constitute strong evidence for the presence and importance of initial state momentum anisotropies predicted by the color glass condensate effective theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗