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At least 541 records · Page 30

Thermodynamic signatures of an antiferromagnetic quantum critical point inside a superconducting dome

Recent experiments in unconventional superconductors, and in particular iron-based materials, have reported evidence of an antiferromagnetic quantum critical point (AFM-QCP) emerging inside the superconducting dome of the phase diagram. Fluctuations associated with such an AFM-QCP are expected to promote unusual temperature dependencies of thermodynamic quantities. Here, we compute the T dependence of the specific heat C(T) deep inside a fully gapped s +– superconducting state as the AFM-QCP is approached. We find that at the AFM-QCP, the specific heat C(T) vanishes quadratically with temperature, as opposed to the typical exponential suppression seen in fully gapped BCS superconductors. This robust result is due to a nonanalytic contribution to the free energy arising from the general form of the bosonic (AFM) propagator in the SC state. Away from the AFM-QCP, as temperature is lowered, C(T) shows a crossover from a T2 behavior to an exponential behavior, with the crossover temperature scale set by the value of the superconducting gap and the distance to the QCP. As a result, we argue that these features in the specific heat can be used to unambiguously determine the existence of AFM-QCPs inside the superconducting domes of iron-based and other fully gapped unconventional superconductors.

36 MATERIALS SCIENCE↗

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↗

Dynamical exponent of a quantum critical itinerant ferromagnet: A Monte Carlo study

Here we consider the effect of the coupling between two-dimensional (2D) quantum rotors near an XY ferromagnetic quantum critical point and spins of itinerant fermions. We analyze how this coupling affects the dynamics of rotors and the self-energy of fermions. A common belief is that near a q = 0 ferromagnetic transition, fermions induce an Ω/q Landau damping of rotors (i.e., the dynamical critical exponent is z = 3) and Landau overdamped rotors give rise to non-Fermi liquid fermionic self-energy Σ∝ω 2/3 . This behavior has been confirmed in previous quantum Monte Carlo (QMC) studies. Here we show that for the XY case the behavior is different. We report the results of large-scale quantum Monte Carlo simulations, which show that at small frequencies z = 2 and Σ∝ω 1/2 . We argue that the new behavior is associated with the fact that a fermionic spin is by itself not a conserved quantity due to spin-spin coupling to rotors, and a combination of self-energy and vertex corrections replaces 1/q in the Landau damping by a constant. We discuss the implication of these results to experiments.

36 MATERIALS SCIENCE↗

Emergence of many-body quantum chaos via spontaneous breaking of unitarity

It is suggested that many-body quantum chaos appears as the spontaneous symmetry breaking of unitarity in interacting quantum many-body systems. It has been shown that many-body level statistics, probed by the spectral form factor (SFF) defined as K(η,t)=$\langle$|Tr exp(-ηH+itH)| 2 $\rangle$, is dominated by a diffuson-type mode in a field theory analysis. The key finding of this Letter is that the “unitary” η = 0 case is different from the η → 0 ± limit, with the latter leading to a finite mass of these modes due to interactions. This mass suppresses a rapid exponential ramp in the SFF, which is responsible for the fast emergence of Poisson statistics in the noninteracting case, and gives rise to a nontrivial random matrix structure of many-body levels. The interaction-induced mass in the SFF shares similarities with the dephasing rate in the theory of weak localization and the Lyapunov exponent of the out-of-time-ordered correlators.

36 MATERIALS SCIENCE↗

Spin-orbital liquids and insulator-metal transitions on the pyrochlore lattice

The two orbital Hubbard model, with the electrons additionally coupled to a complex magnetic background, arises in the pyrochlore molybdates. The background involves local moments Hund's coupled to the electrons, driving double exchange ferromagnetism, and antiferromagnetic (AF) tendency arising from competing superexchange. The key scales include the Hubbard repulsion and the superexchange, both of which can be tuned in these materials. They control the phase transition from a ferromagnetic metal to a spin glass metal and then to a spin glass (Mott) insulator. We provide a comprehensive description of the ground state of this model using an unrestricted Hartree-Fock scheme implemented via a simulated annealing procedure and establish the metal-insulator transition line for varying Hubbard interaction and superexchange. The electrons see an effective disorder, due to orbital frustration, already in the ferromagnetic phase. The disorder is further enhanced by antiferromagnetic coupling and the resulting magnetic disorder. As a result, increasing AF coupling shifts the metal-insulator transition to lower Hubbard interaction and gives it an additional "Anderson" character. In conclusion, we provide detailed results on the magnetic and orbital correlations, the density of states, and the optical conductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Zero-point motion of liquid and solid hydrogen

We present an inelastic neutron scattering study of liquid and solid hydrogen carried out using the wide Angular Range Chopper Spectrometer at Oak Ridge National Laboratory. From the observed dynamic structure factor, we obtained empirical estimates of the molecular mean-squared displacement and average translational kinetic energy. Here we find that the former quantity increases with temperature, indicating that a combination of thermal and quantum effects is important near the liquid-solid phase transition, contrary to previous measurements. We also find that the kinetic energy drops dramatically on melting of the crystals, a consequence of the large increase in molar volume together with the Heisenberg indeterminacy principle. Our results are compared with quantum Monte Carlo simulations based on different model potentials. In general, there is good agreement between our findings and theoretical predictions based on the Silvera-Goldman and Buck potentials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Real-time evolution of Anderson impurity models via tensor network influence functionals

In this work, we present and analyze two tensor network-based influence functional approaches for simulating the real-time dynamics of quantum impurity models such as the Anderson model. Via comparison with recent numerically exact simulations, we show that such methods accurately capture the long-time nonequilibrium quench dynamics. The two parameters that must be controlled in these tensor network influence functional approaches are a time discretization (Trotter) error and a bond dimension (tensor network truncation) error. We show that the actual numerical uncertainties are controlled by an intricate interplay of these two approximations, which we demonstrate in different regimes. Our work opens the door to using these tensor network influence functional methods as general impurity solvers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electronic excitation spectra of molecular hydrogen in phase I from quantum Monte Carlo and many-body perturbation methods

Here, we study the electronic excitation spectra in solid molecular hydrogen (phase I) at ambient temperature and 5- to 90-GPa pressures using quantum Monte Carlo methods and many-body perturbation theory. In this range, the system changes from a wide-gap molecular insulator to a semiconductor, altering the nature of the excitations from localized to delocalized. Computed gaps and spectra agree with experiments, proving the ability to predict accurately band gaps of many-body systems in the presence of nuclear quantum and thermal effects.

08 HYDROGEN↗

Degeneracy engineering for classical and quantum annealing: A case study of sparse linear regression in collider physics

Classical and quantum annealing are computing paradigms that have been proposed to solve a wide range of optimization problems. In this paper, we aim to enhance the performance of annealing algorithms by introducing the technique of degeneracy engineering, through which the relative degeneracy of the ground state is increased by modifying a subset of terms in the objective Hamiltonian. We illustrate this novel approach by applying it to the example of ℓ 0 -norm regularization for sparse linear regression, which is, in general, an NP-hard optimization problem. Specifically, we show how to cast ℓ 0 -norm regularization as a quadratic unconstrained binary optimization (QUBO) problem, suitable for implementation on annealing platforms. As a case study, we apply this QUBO formulation to energy flow polynomials in high-energy collider physics, finding that degeneracy engineering substantially improves the annealing performance. Furthermore, our results motivate the application of degeneracy engineering to a variety of regularized optimization problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗