Resonant excitation of the axion field during the QCD phase transition
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71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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Mazza, Alessandro R.↗
Sensitivity to dark sector scales from gravitational wave signatures
We consider gravitational sound wave signals produced by a first-order phase transition in a theory with a generic renormalizable thermal effective potential of power law form. We find the frequency and amplitude of the gravitational wave signal can be related in a straightforward manner to the parameters of the thermal effective potential. This leads to a general conclusion; if the mass of the dark Higgs is less than 1% of the dark Higgs vacuum expectation value, then the gravitational wave signal will be unobservable at all upcoming and planned gravitational wave observatories. Although the understanding of gravitational wave production at cosmological phase transitions is still evolving, we expect this result to be robust.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Possible manifestations of the chiral anomaly and evidence for a magnetic field induced topological phase transition in the type-I Weyl semimetal TaAs
We studied the magnetoresistivity and the Hall effect of the type-I Weyl semimetal TaAs to address the controversy surrounding its anomalous transport properties in relation to its bulk topological character. For fields and currents along the basal plane, we observe a very pronounced planar Hall effect (PHE) upon field rotation with respect to the crystallographic axes at temperatures as high as T = 100K. Parametric plots of the PHE signal as a function of the longitudinal magnetoresistivity (LMR) collected at T = 10K lead to concentric traces as reported for Na 3 Bi and GdBiPt. This would suggest that the negative LMR and the PHE observed in TaAs are intrinsically associated with the axial anomaly among its Weyl nodes. For fields nearly along the a axis we observe hysteresis as one surpasses the quantum limit, where the magnetic torque indicates a change in regime as the field increases, i.e., from paramagnetism and diamagnetism due to Weyl fermions above and below the Weyl node(s), respectively, to a paramagnetic one associated with the field-independent n = 0 Landau level. Hysteresis coupled to the overall behavior of the torque would be consistent with a topological phase transition associated with the suppression of the Weyl dispersion at the quantum limit. This transition leads to the suppression of the negative LMR confirming that it is intrinsically associated with the Weyl dispersion. The Hall effect for fields along the c axis reveals two successive changes in slope, or two successive decrements in carrier mobility, one at the quantum limit and a second one at the critical field where a phase transition toward an insulating state was recently reported. This suggests the possibility of two successive phase transitions as function of the field with the higher-field one involving solely the n = 0 Landau level. Finally, for both field orientations we observe Shubnikov–de Haas like oscillations beyond the quantum limit hence involving quasiparticles at fractional filling factors.
36 MATERIALS SCIENCE↗
Three-dimensional imaging of vortex structure in a ferroelectric nanoparticle driven by an electric field
Topological defects of spontaneous polarization are extensively studied as templates for unique physical phenomena and in the design of reconfigurable electronic devices. Experimental investigations of the complex topologies of polarization have been limited to surface phenomena, which has restricted the probing of the dynamic volumetric domain morphology in operando. Here, we utilize Bragg coherent diffractive imaging of a single BaTiO 3 nanoparticle in a composite polymer/ferroelectric capacitor to study the behavior of a three-dimensional vortex formed due to competing interactions involving ferroelectric domains. Our investigation of the structural phase transitions under the influence of an external electric field shows a mobile vortex core exhibiting a reversible hysteretic transformation path. We also study the toroidal moment of the vortex under the action of the field. Our results open avenues for the study of the structure and evolution of polar vortices and other topological structures in operando in functional materials under cross field configurations.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Quasi-deterministic localization of Er emitters in thin film TiO 2 through submicron-scale crystalline phase control
With their shielded 4f orbitals, rare-earth ions (REIs) offer optical and electron spin transitions with good coherence properties even when embedded in a host crystal matrix, highlighting their utility as promising quantum emitters and memories for quantum information processing. Among REIs, trivalent erbium (Er 3+ ) uniquely has an optical transition in the telecom C-band, ideal for transmission over optical fibers, making it well suited for applications in quantum communication. The deployment of Er 3+ emitters into a thin film TiO 2 platform has been a promising step toward scalable integration; however, like many solid-state systems, the deterministic spatial placement of quantum emitters remains an open challenge. Here, we investigate laser annealing as a means to locally tune the optical resonance of Er 3+ emitters in TiO 2 thin films on Si. Using both nanoscale x-ray diffraction measurements and cryogenic photoluminescence spectroscopy, we show that tightly focused below-gap laser annealing can induce anatase to rutile phase transitions in a nearly diffraction-limited area of the films and improve local crystallinity through grain growth. As a percentage of Er:TiO 2 is converted to rutile, the Er 3+ optical transition blueshifts by 13 nm. We explore the effects of changing laser annealing time and show that the amount of optically active Er:rutile increases linearly with laser power. We additionally demonstrate local phase conversion on microfabricated Si structures, which holds significance for quantum photonics.
36 MATERIALS SCIENCE↗
Transmission of spin waves in ordered FeRh epitaxial thin films
We report on B2-ordering dependence of magnetostatic surface spin waves in ferromagnetic FeRh at room temperature. Spin waves transmit over a distance longer than 21 μm in highly ordered FeRh alloys even with relatively large spin-orbit interaction. The long-range transmission likely arises from the induced Rh moments of the ordered FeRh due to ferromagnetic exchange interaction between Fe and Rh. The results indicate a potential of using FeRh in spintronic and magnonic applications by integrating with other fascinating magnetic characteristics of FeRh such as electric field induced magnetic phase transition.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
From chiral quark dynamics with Polyakov loop to the hadron resonance gas model
Chiral quark models with Polyakov loop at finite temperature have been often used to describe the phase transition. We show how the transition to a hadron resonance gas is realized based on the quantum and local nature of the Polyakov loop.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Hydro-Code Implementation and Testing of a Kinetic Phase Transition Framework
In this report we describe the Kinetic Phase Transition (KPT) framework that has been worked out over the last 10 years (from around 2014) and the implementation of it into three different codes, the one-dimensional hydro- LASLO and the three-dimensional magneto-hydro- ALEGRA, Sandia codes, via subroutines in the LAMBDA Equations of State and constitutive models package, and Flag, an arbitrary Lagrangian-Eulerian multiphysics code developed within the Lagrangian Applications project (LAP) at LANL. We discuss the introduction of phase mass (and/or volume) fractions that are needed in a code for it to be ‘phase aware’, that is, not only the thermodynamic state is known in each point but also the mixture of the materials’ phases in that point. Further we point to the need of a full Equations of State for each phase in a material to achieve phase awareness and we review the equilibrium phase model, where a phase mixture is at its lowest Gibbs free energy state, to make this point clear. Contrasting the kinetic phase transition to this equilibrium model seamlessly introduce us to the KPT framework that is subsequently thoroughly discussed. While the determination of the total state and the states and mass fractions of phases in each point is a problem that can borrow many of its numerical details from Eulerian codes and mixture of materials (not phases), the update of mass fractions with time in a KPT framework needs a new set of considerations. General for any update model is that we need to prevent mass fractions from becoming unphysical (negative or their sum to be larger than one). We have solved this problem by implementing a subdivision of the hydro time step that prevents the phase from being fully present to not present at all in one subdivided time step by limiting the size of the subdivided time step. This scheme also corrects numerical problems from abrupt changes in parameter values, the so called Gibbs phenomena, that gives rise to slushing between phases in the KPT framework. Interspersed throughout the report are discussions on different thermodynamics considerations. EOS validity windows, limitations on the EOS phase space, are needed for the KPT framework and are discussed separately and exemplified. The KPT framework described in this report has been verified by code comparison, but validation is still an active area of research. There is room for improvement in the update model, both in the model for determination of rates and in how to prevent the mass fractions from becoming unphysical. In addition, the parameters in the KPT update model and the placement of the phase boundary in the EOS phase space, and interactions with other constitutive models, are closely related and interfering with each other. One possible way forward is to simultaneously develop KPT parameters, EOS, and constitutive models for each material.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Benchmarking exchange-correlation functionals for hydrogen at high pressures using quantum Monte Carlo
The ab initio phase diagram of dense hydrogen is very sensitive to errors in the treatment of electronic correlation. Recently, it has been shown that the choice of the density functional has a large effect on the predicted location of both the liquid-liquid phase transition and the solid insulator-to-metal transition in dense hydrogen. To identify the most accurate functional for dense hydrogen applications, we systematically benchmark some of the most commonly used functionals using quantum Monte Carlo. By considering several measures of functional accuracy, we conclude that the van der Waals and hybrid functionals significantly outperform local density approximation and Perdew-Burke-Ernzerhof. We support these conclusions by analyzing the impact of functional choice on structural optimization in the molecular solid, and on the location of the liquid-liquid phase transition.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Theoretical analysis of the role of complex transition dipole phase in XUV transient-absorption probing of charge migration
We theoretically investigate the role of complex dipole phase in the attosecond probing of charge migration. The iodobromoacetylene ion (ICCBr + ) is considered as an example, in which one can probe charge migration by accessing both the iodine and bromine ends of the molecule with different spectral windows of an extreme-ultraviolet (XUV) pulse. The analytical expression for transient absorption shows that the site-specific information of charge migration is encoded in the complex phase of cross dipole products for XUV transitions between the I-4 d and Br-3 d spectral windows. Ab-initio quantum chemistry calculations on ICCBr + reveal that there is a constant π phase difference between the I-4 d and Br-3 d transient-absorption spectral windows, irrespective of the fine-structure energy splittings. Transient absorption spectra are simulated with a multistate model including the complex dipole phase, and the results correctly reconstruct the charge-migration dynamics via the quantum beats in the two element spectral windows, exhibiting out-of-phase oscillations.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Experimental evidence for bipolaron condensation as a mechanism for the metal-insulator transition in rare-earth nickelates
Many-body effects produce deviations from the predictions of conventional band theory in quantum materials, leading to strongly correlated phases with insulating or bad metallic behavior. One example is the rare-earth nickelates RNiO 3 , which undergo metal-to-insulator transitions (MITs) whose origin is debated. Here, we combine total neutron scattering and broadband dielectric spectroscopy experiments to study and compare carrier dynamics and local crystal structure in LaNiO 3 and NdNiO 3 . We find that the local crystal structure of both materials is distorted in the metallic phase, with slow, thermally activated carrier dynamics at high temperature. We further observe a sharp change in conductivity across the MIT in NdNiO 3 , accompanied by slight differences in the carrier hopping time. Here, these results suggest that changes in carrier concentration drive the MIT through a polaronic mechanism, where the (bi)polaron liquid freezes into the insulating phase across the MIT temperature.
36 MATERIALS SCIENCE↗
Microwave spectroscopy of the low-filling-factor bilayer electron solid in a wide quantum well
At the low Landau filling factor termination of the fractional quantum Hall effect series, two-dimensional electron systems exhibit an insulating phase that is understood as a form of pinned Wigner solid. Here we use microwave spectroscopy to probe the transition to the insulator for a wide quantum well sample that can support single-layer or bilayer states depending on its overall carrier density. We find that the insulator exhibits a resonance which is characteristic of a bilayer solid. The resonance also reveals a pair of transitions within the solid, which are not accessible to dc transport measurements. As density is biased deeper into the bilayer solid regime, the resonance grows in specific intensity, and the transitions within the insulator disappear. These behaviours are suggestive of a picture of the insulating phase as an emulsion of liquid and solid components.
Science & Technology - Other Topics↗
Correlated signals of first-order phase transitions and primordial black hole evaporation
Fermi balls produced in a cosmological first-order phase transition may collapse to primordial black holes (PBHs) if the fermion dark matter particles that comprise them interact via a sufficiently strong Yukawa force. We show that phase transitions described by a quartic thermal effective potential with vacuum energy, 0.1 ≲ B 1/4 /MeV ≲ 10 3 , generate PBHs of mass, 10 –20 ≲ M PBH /M ⊙ ≲ 10 –16 , and gravitational waves from the phase transition (at THEIA/μAres) can be correlated with an isotropic extragalactic X-ray/γ-ray background from PBH evaporation (at AMEGO-X/e-ASTROGAM).
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Electronic energy gap closure and metal-insulator transition in dense liquid hydrogen
Here, using quantum Monte Carlo (QMC) calculations, we investigate the insulator-metal transition observed in liquid hydrogen at high pressure. Below the critical temperature of the transition from the molecular to the atomic liquid, the fundamental electronic gap closure occurs abruptly, with a small discontinuity reflecting the weak first-order transition in the thermodynamic equation of state. Above the critical temperature, molecular dissociation sets in while the gap is still open. When the gap closes, the decay of the off-diagonal reduced density matrix shows that the liquid enters a gapless, but localized, phase: there is a crossover between the insulating and the metallic liquids. Compared to different density functional theory (DFT) functionals, our QMC calculations provide larger values for the fundamental gap and the electronic density of states close to the band edges, indicating that optical properties from DFT potentially benefit from error cancellations.
36 MATERIALS SCIENCE↗
Laser-Induced Cooperative Transition in Molecular Electronic Crystal
The competing and non-equilibrium phase transitions, involving dynamic tunability of cooperative electronic and magnetic states in strongly correlated materials, show great promise in quantum sensing and information technology. To date, the stabilization of transient states is still in the preliminary stage, particularly with respect to molecular electronic solids. Here, a dynamic and cooperative phase in potassium-7,7,8,8-tetracyanoquinodimethane (K-TCNQ) with the control of pulsed electromagnetic excitation is demonstrated. Simultaneous dynamic and coherent lattice perturbation with 8 ns pulsed laser (532 nm, 15 MW cm -2 , 10 Hz) in such a molecular electronic crystal initiates a stable long-lived (over 400 days) conducting paramagnetic state (≈42 Ωcm), showing the charge–spin bistability over a broad temperature range from 2 to 360 K. Comprehensive noise spectroscopy, in situ high-pressure measurements, electron spin resonance (ESR), theoretical model, and scanning tunneling microscopy/spectroscopy (STM/STS) studies provide further evidence that such a transition is cooperative, requiring a dedicated charge–spin–lattice decoupling to activate and subsequently stabilize nonequilibrium phase. Finally, the cooperativity triggered by ultrahigh-strain-rate (above 10 6 s -1 ) pulsed excitation offers a collective control toward the generation and stabilization of strongly correlated electronic and magnetic orders in molecular electronic solids and offers unique electro-magnetic phases with technological promises.
36 MATERIALS SCIENCE↗
Tunable spin and valley excitations of correlated insulators in Γ-valley moiré bands
Moiré superlattices formed from transition metal dichalcogenides (TMDs) have been shown to support a variety of quantum electronic phases that are highly tunable using applied electromagnetic fields. While the valley character of the low-energy states dramatically affects optoelectronic properties in the constituent TMDs, this degree of freedom has yet to be fully explored in moiré systems. Here, we establish twisted double bilayer WSe 2 as an experimental platform to study electronic correlations within Γ-valley moiré bands. Through a combination of local and global electronic compressibility measurements, we identify charge-ordered phases at multiple integer and fractional moiré band fillings ν. By measuring the magnetic field dependence of their energy gaps and the chemical potential upon doping, we reveal spin-polarized ground states with novel spin polaron quasiparticle excitations. In addition, an applied displacement field allows us to realize a new mechanism of metal-insulator transition at ν=–1 driven by tuning between Γ- and K-valley moiré bands. Together, our results demonstrate control over both the spin and valley character of the correlated ground and excited states in this system.
36 MATERIALS SCIENCE↗
Formation of short-range magnetic order and avoided ferromagnetic quantum criticality in pressurized LaCrGe 3
LaCrGe 3 has attracted attention as a paradigm example of the avoidance of ferromagnetic (FM) quantum criticality in an itinerant magnet. In this work, we combined thermodynamic (specific heat and thermal expansion), transport, x-ray, and neutron scattering as well as μSR measurements to obtain insights on the temperature-pressure phase diagram of LaCrGe 3 . Consistent with previous studies of the phase diagram by transport measurements, our thermodynamic data shows clearly that the FM transition at T FM changes its character from second order to first order when it is suppressed to low temperatures by pressure. In addition, previous studies demonstrated that for high pressures a new phase occurs below T 2 , which was proposed to be a long-wavelength antiferromagnetic state (AFM q ). In this paper, we provide evidence from our thermodynamic data that this phase transition is preceded by yet another phase transition at T 1 >T 2 . Our μSR data indicate that full magnetic volume fraction is only established below T 2 , but that this magnetism is characterized by a short correlation length. Within the experimental resolution, our neutron-scattering data is not able to identify any magnetic Bragg peaks. Overall, the microscopic magnetic data is therefore consistent with the formation of FM clusters in the proximity of the avoided FM quantum critical point in LaCrGe 3 . This conclusion is at odds with the previous proposal of AFM q order and raises questions on the role of disorder in this stochiometric compound.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗