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At least 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Magnetism in the two-dimensional dipolar XY model

Here, motivated by a recent experiment on a square-lattice Rydberg atom array realizing a long-range dipolar XY model [C. Chen et al., Nature (London) 616, 691 (2023)], we numerically study the model's equilibrium properties. We obtain the phase diagram, critical properties, entropies, variance of the magnetization, and site-resolved correlation functions. We consider both ferromagnetic and antiferromagnetic interactions and apply quantum Monte Carlo and pseudo-Majorana functional renormalization group techniques, generalizing the latter to a U⁡(1) symmetric setting. Our simulations perform extensive thermometry in dipolar Rydberg atom arrays and establish conditions for adiabaticity and thermodynamic equilibrium. On the ferromagnetic side of the experiment, we determine the entropy per particle S/N≈0.5, close to the one at the critical temperature, S c /N=0.585⁢(15). The simulations suggest the presence of an out-of-equilibrium plateau at large distances in the correlation function, thus motivating future studies on the nonequilibrium dynamics of the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Fractionalized excitations probed by ultrasound

In this work, we study magnetoelastic interactions by means of ultrasound experiments in 𝛼−RuCl 3 —a prototypical material for the Kitaev spin model on the honeycomb lattice, with a possible spin-liquid state featuring Majorana fermions and ℤ 2 -flux excitations. We present results of the temperature and in-plane magnetic-field dependence of the sound velocity and sound attenuation for several longitudinal and transverse phonon modes propagating along high-symmetry crystallographic directions. A comprehensive data analysis above the magnetically ordered state provides strong evidence of phonon scattering by Majorana fermions. This scattering depends sensitively on the value of the phonon velocities relative to the characteristic velocity of the low-energy fermionic excitations describing the spin dynamics of the underlying Kitaev magnet. Moreover, our data displays a distinct reduction of anisotropy of the sound attenuation, consistent with the presence of thermally excited ℤ 2 visons. Here, we demonstrate the potential of phonon dynamics as a promising probe for uncovering fractionalized excitations in 𝛼−RuCl 3 and provide new insights into the 𝐻−𝑇 phase diagram of this material.

Kitaev magnet↗
DOE OSTI2024

Block Mott insulating state induced by next-nearest-neighbor hopping in the S = 3 2 zigzag chain BaCoTe 2 O 7

Quasi-one-dimensional correlated electronic multiorbital systems with either ladder or chain geometries continue attracting considerable interest due to their complex electronic phases arising from the interplay of the hopping matrix, the crystal-field splitting, the electronic correlations (Hubbard repulsion U and Hund coupling J H ), and strong quantum fluctuations. Recently, the intriguing cobalt zigzag chain system BaCoTe 2 ⁢ O 7 , with electronic density n=7, was prepared experimentally. Here, we systematically study the electronic and magnetic properties of this quasi-one-dimensional compound from the theoretical perspective. Based on first-principles density functional theory calculations, strongly anisotropic one-dimensional electronic Co 3⁢d bands were found near the Fermi level. By evaluating the relevant hopping amplitudes, we provide the magnitude and origin of the nearest-neighbor (NN) and next-nearest-neighbor (NNN) hopping matrices in BaCoTe 2 ⁢ O 7 . With this information, we constructed a three-orbital electronic Hubbard model for this zigzag chain system, and studied two cases: with only a NN hopping matrix, and with NN plus NNN hopping matrices. Introducing the Hubbard and Hund couplings and studying the model via the density matrix renormalization group method, we constructed the ground-state phase diagram. A robust staggered ↑ - ↓ - ↑ - ↓ antiferromagnetic (AFM) region was found when only the NN hopping matrix in the chain direction was employed. However, for the realistic case where the NNN hopping matrix is also included, the dominant state becomes instead a block AFM ↑ - ↑ - ↓ - ↓ order, in agreement with experiments. The system displays Mott insulator characteristics with three half-filled orbitals, when the block AFM order is stable. In conclusion, our results for BaCoTe 2 ⁢O 7 provide guidance to experimentalists and theorists working on this zigzag one-dimensional chain and related materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Suppression of metal-to-insulator transition and stabilization of superconductivity by pressure in Re 3 Ge 7

The effect of pressure on the low-temperature states of the Re 3 ⁡Ge 7 is investigated by both electrical and Hall resistance and magnetization measurements. At ambient pressure, the temperature-dependent resistance of Re 3 ⁡Ge 7 behaves quasilinearly from room temperature down to 60 K, then undergoes a two-step metal-to-insulator transition (MIT) at temperatures T 1 =59.4K and T 2 =58.7K, which may be related to a structural phase transition or occurrence of charge-density wave ordering. Upon applying pressure, the two-step (T 1 ,T 2 ) MIT splits into three steps (T 1 ,T 2 . and T 3 ) above 1 GPa, and all traces of MITs are fully suppressed by ~8 GPa. Subsequently, the onset of bulk superconductivity (SC) occurs between 10.8 and 12.2 GPa and persists to our highest pressure of 26.8 GPa. At 12.2 GPa the superconducting transition temperature, T c , and upper critical field, H c ⁢2 reach the maximum of T c (onset) ~5.9 K and H c ⁢2 (1.8 K) ~14 kOe. Finally, our results not only present the observation of SC under high pressure in Re 3 ⁡Ge 7 but also delineate the interplay between SC and other competing electronic states by creating a T-p phase diagram for this potentially topologically nontrivial system Re 3 ⁡Ge 7 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Tuning superconductivity and spin-vortex instabilities in CaKFe 4 As 4 through in-plane antisymmetric strains

Lattice strains of appropriate symmetry have served as an excellent tool to explore the interaction of superconductivity in the iron-based superconductors with orthorhombic-nematic and stripe spin-density-wave (SSDW) order. In this Letter, we contribute to a broader understanding of the coupling of strain to superconductivity and competing normal-state orders by studying CaKFe 4 As 4 under large, in-plane strains of B 1 g and B 2 g symmetry. In contrast to the majority of iron-based superconductors, pure CaKFe 4 As 4 exhibits superconductivity with a relatively high transition temperature of T c ∼ 35 K in proximity of a noncollinear, tetragonal, hedgehog spin-vortex crystal (SVC) order. Through experiments and calculations, we demonstrate an anisotropic in-plane strain response of T c and the favored SVC configuration in CaKFe 4 As 4 . This supports a scenario, in which the change in spin fluctuations dominates the strain response of superconducting T c . Overall, by suggesting moderate B 2 g strains as an effective parameter to change the stability of SVC and SSDW, we outline a pathway to a unified phase diagram of iron-based superconductivity. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Magnetic, charge, and bond order in the two-dimensional Su-Schrieffer-Heeger-Holstein model

Most nonperturbative numerical studies of electron-phonon interactions focus on model Hamiltonians where the electrons interact with a phonon branch via a single type of microscopic mechanism. Two commonly explored couplings in this context are the Holstein and Su-Schrieffer-Heeger (SSH) interactions, which describe phonons modulating the on-site energy and intersite electron hopping, respectively. Many materials, however, have multiple phonon branches that can each interact with electronic degrees of freedom in different ways. We present here a determinant quantum Monte Carlo study of the half-filled two-dimensional (bond) SSH-Holstein Hamiltonian, where electrons couple to different phonon branches via either the Holstein or SSH mechanism. As a result, we map the model's phase diagram and determine the nature of the transitions between charge-density wave, bond-order wave, and antiferromagnetic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Kekulé valence bond order in the honeycomb lattice optical Su-Schrieffer-Heeger model and its relevance to graphene

We perform sign-problem-free determinant quantum Monte Carlo simulations of the optical Su- Schrieffer-Heeger model on a half-filled honeycomb lattice. In particular, we investigate the model’s semi-metal (SM) to Kekulé Valence Bond Solid (KVBS) phase transition at zero and finite temper- atures as a function of phonon energy and interaction strength. Using hybrid Monte Carlo sampling methods we can simulate the model near the adiabatic regime, allowing us to access regions of parameter space relevant to graphene. Our simulations suggest that the SM-KVBS transition is weakly first-order at all temperatures, with graphene situated close to the phase boundary in the SM region of the phase diagram. Furthermore, our results highlight the important role bond-stretching phonon modes play in the formation of KVBS order in strained graphene-derived systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Large magnetoresistance and first-order phase transition in antiferromagnetic single-crystalline EuAg 4 Sb 2

Here, we present the results of a thorough investigation of the physical properties of EuAg 4 Sb 2 single crystals using magnetization, heat capacity, and electrical resistivity measurements. High-quality single crystals, which crystallize in a trigonal structure with space group 𝑅⁢$\bar{3}$𝑚, were grown using a conventional flux method. Temperature-dependent magnetization measurements along different crystallographic orientations confirm two antiferromagnetic phase transitions around 𝑇 𝑁⁢1 = 10.5K and 𝑇 𝑁⁢2 = 7.5K. Isothermal magnetization data exhibit several metamagnetic transitions below these transition temperatures. Antiferromagnetic phase transitions in EuAg 4 Sb 2 are further confirmed by two sharp peaks in the temperature-dependent heat capacity data at 𝑇 𝑁⁢1 and 𝑇 𝑁⁢2 , which shift to lower temperature in the presence of an external magnetic field. Our systematic heat capacity measurements utilizing a long-pulse and single-slope analysis technique allow us to detect a first-order phase transition in EuAg 4 Sb 2 at 7.5 K. The temperature-dependent electrical resistivity data also manifest two features associated with magnetic order. The magnetoresistance exhibits a broad hump due to a field-induced metamagnetic transition. Remarkably, the magnetoresistance keeps increasing without showing any tendency to saturate as the applied magnetic field increases, and it reaches ∼20 000% at 1.6 K and 60 T. At high magnetic fields, several magnetic quantum oscillations are observed, indicating a complex Fermi surface. A large negative magnetoresistance of about −55% is also observed near 𝑇 𝑁⁢1 . Moreover, the 𝐻−𝑇 phase diagram constructed using magnetization, heat capacity, and magnetotransport data indicates complex magnetic behavior in EuAg 4 Sb 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2025

Particle-hole asymmetric phases in doped twisted bilayer graphene

Twisted bilayer graphene (TBG) has emerged as a paradigmatic platform for exploring the interplay between strong interactions in a multi-band system with nearly flat bands, while offering unprecedented control over the filling fraction of electron/hole carriers. Despite much theoretical work, developing a comprehensive ab initio model for this system has proven challenging due to the inherent trade-off between accurately describing the band structure and incorporating the interactions within the Hamiltonian. Here, we constructed an extended multi-orbital Hubbard model, and performed Hartree-Fock (HF) calculations to explore its phase diagram across commensurate fillings. We found several nearly-degenerate insulating states at charge neutrality, all of which exhibit orbital orders. We also observed that most of the Hartree–Fock ground states exhibit a generalized valley Hund’s-like rule, resulting in valley polarization. Importantly, we show that the incorporation of the intra-valley and inter-valley exchange interactions is crucial to properly stabilize the ordered symmetry-broken states. In agreement with experiments, we find significant particle-hole asymmetry, which underscores the importance of using particle-hole asymmetric models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Issues with the search for critical point in QCD with relativistic heavy ion collisions

A systematic search for a critical point in the phase diagram of QCD matter is under way at the Relativistic Heavy Ion Collider (RHIC) and is planned at several future facilities. Its existence, if confirmed, and its location will greatly enhance our understanding of QCD. In this article, we emphasize several important issues that are often not fully recognized in theoretical interpretations of experimental results relevant to the critical point search. Further, we discuss ways in which our understanding on these issues can be improved.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Baseline predictions of elliptic flow and fluctuations for the RHIC Beam Energy Scan using response coefficients

Currently the RHIC Beam Energy Scan is exploring a new region of the Quantum Chromodynamic phase diagram at large baryon densities that approaches nuclear astrophysics regimes. This provides an opportunity to study relativistic hydrodynamics in a regime where the net conserved charges of baryon number, strangeness, and electric charge play a role, which will significantly change the theoretical approach to simulating the baryon-dense Quark-Gluon Plasma. In this work, we detail many of the important changes needed to adapt both initial conditions and the medium to baryon-rich matter. Then, we make baseline predictions for the elliptical flow and fluctuations based on extrapolating the physics at LHC and top RHIC energies to support future analyses of where and how the new baryon-dense physics causes these extrapolations to break down. First we compare eccentricities across beam energies, exploring their underlying assumptions; we find the the extrapolated initial state is predicted to be nearly identical to that at AuAu $\sqrt{s_{NN}}$ = 200 GeV. Then the final flow harmonic predictions are based on linear+cubic response. We discuss preliminary STAR results in order to determine the implications that they have for linear+cubic response coefficients at the lowest beam energy of AuAu $\sqrt{s_{NN}}$ = 7 GeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Centrality determination with a forward detector in the RHIC Beam Energy Scan

Recently, Chatterjee et al [1] used a hadronic transport model to estimate the resolution with which various experimental quantities select the impact parameter of relativistic heavy ion collisions at collision energies relevant to the Beam Energy Scan (BES) program at the Relativistic Heavy Ion Collider (RHIC). Measures based on particle multiplicity at forward rapidity were found to be significantly worse than those based on midrapidity multiplicity. Using the same model, we show that a slightly more sophisticated measure greatly improves the resolution based on forward rapidity particles; this improvement persists even when the model is filtered through a realistic simulation of a recent upgrade detector to the STAR experiment. Furthermore, these results highlight the importance of optimizing centrality measures based on particles detected at forward rapidity, especially for experimental studies that search for a critical point in the QCD phase diagram. Such measurements usually focus on proton multiplicity fluctuations at midrapidity, hence selecting events based on multiplicity at midrapidity raises the possibility of nontrivial autocorrelations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Equation of state within the EPOS3 model

Transitions between different states of matter and their thermodynamic properties are described by the Equation of State (EoS). A universal representation of the EoS of quantum chromodynamics for the wide range of phase diagrams has yet to be determined. The expectation of the systems to undergo various types of transitions depending on the temperature (T), the chemical potential (μ B ), and other thermodynamic features make solving that puzzle challenging. Furthermore, it needs to be apparent which experimentally measurable observables could provide helpful information for determining EoS. The application of different EoS for hydrodynamical evolution was introduced in the EPOS3 generator, which allows one to study its changing effect on the experimental observables. The family of EoS proposed by the BEST Collaboration was implemented. The critical point location and the strength of criticality variations were investigated with particle yield, transverse momentum spectra, flow, and moments of the net-proton distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Far-from-equilibrium search for the QCD critical point

Initial conditions for relativistic heavy-ion collisions may be far from equilibrium (i.e., there are large initial contributions from the shear stress tensor and bulk pressure) but it is expected that on very short time scales the dynamics converge to a universal attractor that defines hydrodynamic behavior. Thus far, studies of this nature have only considered an idealized situation at LHC energies (high temperatures T and vanishing baryon chemical potential µ B = 0) but, in this work, we investigate for the first time how far-from-equilibrium effects may influence experimentally driven searches for the Quantum Chromodynamic critical point at RHIC. We find that the path to the critical point is heavily influenced by far from equilibrium initial conditions where viscous effects lead to dramatically different {T, µ B } trajectories through the QCD phase diagram. We compare hydrodynamic equations of motion with shear and bulk coupled together at finite µB for both DNMR and phenomenological Israel-Stewart equations of motion and discuss their influence on potential attractors at finite µ B and their corresponding {T, µ B } trajectories.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Clock model interpolation and symmetry breaking in O(2) models

The $q$-state clock model is a classical spin model that corresponds to the Ising model when $q=2$ and to the $XY$ model when $q\to\infty$. The integer-$q$ clock model has been studied extensively and has been shown to have a single phase transition when $q=2$,$3$,$4$ and two phase transitions when $q>4$.We define an extended $q$-state clock model that reduces to the ordinary $q$-state clock model when $q$ is an integer and otherwise is a continuous interpolation of the clock model to noninteger $q$. We investigate this class of clock models in 2D using Monte Carlo (MC) and tensor renormalization group (TRG) methods, and we find that the model with noninteger $q$ has a crossover and a second-order phase transition. We also define an extended-$O(2)$ model (with a parameter $\gamma$) that reduces to the $XY$ model when $\gamma=0$ and to the extended $q$-state clock model when $\gamma\to\infty$, and we begin to outline the phase diagram of this model. These models with noninteger $q$ serve as a testbed to study symmetry breaking in situations corresponding to quantum simulators where experimental parameters can be tuned continuously.

Hostetler, Leon↗
DOE OSTI2022

Phase transitions of correlations in black hole geometries

We study the holographic realization of optimized correlation measures—measures of quantum correlation that generalize elementary entropic formulas—in two-dimensional thermal states dual to spacetimes with a black hole horizon. We consider the symmetric bipartite optimized correlation measures: the entanglement of purification, Q-correlation, R-correlation, and squashed entanglement, as well as the mutual information, a nonoptimized correlation measure, and identify the bulk surface configurations realizing their geometric duals over the parameter space of boundary region sizes and the black hole radius. This parameter space is divided into phases associated with given topologies for these bulk surface configurations, and first-order phase transitions occur as a new topology of bulk surfaces becomes preferred. The distinct phases can be associated with different degrees of correlation between the boundary regions and the thermal environment. The Q-correlation has the richest behavior, with a structure of nested optimizations leading to two topologically distinct bulk surface configurations being equally valid as geometric duals at generic points in the phase diagram.

79 ASTRONOMY AND ASTROPHYSICS↗