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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2010

Quantitative Determination of Temperature in the Approach to Magnetic Order of Ultracold Fermions in an Optical Lattice

We perform a quantitative simulation of the repulsive Fermi-Hubbard model using an ultracold gas trapped in an optical lattice. The entropy of the system is determined by comparing accurate measurements of the equilibrium double occupancy with theoretical calculations over a wide range of parameters. We demonstrate the applicability of both high-temperature series and dynamical mean-field theory to obtain quantitative agreement with the experimental data. The reliability of the entropy determination is confirmed by a comprehensive analysis of all systematic errors. In the center of the Mott insulating cloud we obtain an entropy per atom as low as 0.77k{sub B} which is about twice as large as the entropy at the Neel transition. The corresponding temperature depends on the atom number and for small fillings reaches values on the order of the tunneling energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Electronic structure and magnetic anisotropy of L1{sub 0}-FePt thin film studied by hard x-ray photoemission spectroscopy and first-principles calculations

We have studied the electronic structure of the L1{sub 0} ordered FePt thin film by hard x-ray photoemission spectroscopy (HAXPES), cluster model, and first-principles calculations to investigate the relationship between the electronic structure and perpendicular magneto-crystalline anisotropy (MCA). The Fe 2p core-level HAXPES spectrum of the ordered film revealed the strong electron correlation in the Fe 3d states and the hybridization between the Fe 3d and Pt 5d states. By comparing the experimental valence band structure with the theoretical density of states, the strong electron correlation in the Fe 3d states modifies the valence band electronic structure of the L1{sub 0} ordered FePt thin film through the Fe 3d-Pt 5d hybridization. These results strongly suggest that the strong electron correlation effect in the Fe 3d states and the Fe 3d-Pt 5d hybridization as well as the spin-orbit interaction in the Pt 5d states play important roles in the perpendicular MCA for L1{sub 0}-FePt.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Antiferromagnetic transitions of Dirac fermions in three dimensions

We use determinant quantum Monte Carlo simulations to study the role of electron-electron interactions on three-dimensional (3D) Dirac fermions based on the π-flux model on a cubic lattice. We show that the Hubbard interaction drives the 3D Dirac semimetal to an antiferromagnetic (AF) insulator only above a finite critical interaction strength and the long-range AF order persists up to a finite temperature. We evaluate the critical interaction strength and temperatures using finite-size scaling of the spin structure factor. The critical behaviors are consistent with the (3+1)-dimensional Gross-Neveu universality class for the quantum critical point and 3D Heisenberg universality class for the thermal phase transitions. We further investigate correlation effects in the birefringent Dirac fermion system. It is found that the critical interaction strength U c is decreased by reducing the velocity of the Dirac cone, quantifying the effect of velocity on the critical interaction strength in 3D Dirac fermion systems. Our findings unambiguously uncover correlation effects in 3D Dirac fermions and may be observed using ultracold atoms in an optical lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Thermodynamics of spin chains of Haldane-Shastry type and one-dimensional vertex models

We study the thermodynamic properties of spin chains of Haldane-Shastry type associated with the A{sub N-1} root system in the presence of a uniform external magnetic field. To this end, we exactly compute the partition function of these models for an arbitrary finite number of spins. We then show that these chains are equivalent to a suitable inhomogeneous classical Ising model in a spatially dependent magnetic field, generalizing the results of Basu-Mallick et al. for the zero magnetic field case. Using the standard transfer matrix approach, we are able to compute in closed form the free energy per site in the thermodynamic limit. We perform a detailed analysis of the chains' thermodynamics in a unified way, with special emphasis on the zero field and zero temperature limits. Finally, we provide a novel interpretation of the thermodynamic quantities of spin chains of Haldane-Shastry type as weighted averages of the analogous quantities over an ensemble of classical Ising models. - Highlights: Black-Right-Pointing-Pointer Partition function of spin chains of Haldane-Shastry type in magnetic field. Black-Right-Pointing-Pointer Equivalence to classical inhomogeneous Ising models. Black-Right-Pointing-Pointer Free energy per site, other thermodynamic quantities in thermodynamic limit. Black-Right-Pointing-Pointer Zero field, zero temperature limits. Black-Right-Pointing-Pointer Thermodynamic equivalence with ensemble of classical Ising models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Axion strings are superconducting

We explore the cosmological consequences of the superconductivity of QCD axion strings. Axion strings can support a sizeable chiral electric current and charge density, which alters their early universe dynamics. We examine the possibility that shrinking axion string loops can become effectively stable remnants called vortons, supported by the repulsive electromagnetic force of the string current. We find that vortons in our scenario are generically unstable, and so do not pose a cosmological difficulty. Furthermore, if a primordial magnetic field (PMF) exists in the early universe, a large current is induced on axion strings, creating a significant drag force from interactions with the surrounding plasma. As a result, the strings are slowed down, which leads to an orders of magnitude enhancement in the number of strings per Hubble volume. Finally, we study potential implications for the QCD axion relic abundance. The QCD axion window is shifted by orders of magnitude in some parts of our parameter space.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Bose gas in a single-beam optical dipole trap

We study an ultracold Bose gas in an optical dipole trap consisting of one single focused laser beam. An analytical expression for the corresponding density of states beyond the usual harmonic approximation is obtained. We are thus able to discuss the existence of a critical temperature for Bose-Einstein condensation and find that the phase transition must be enabled by a cutoff near the threshold. Moreover, we study the dynamics of evaporative cooling and observe significant deviations from the findings for the well-established harmonic approximation. Furthermore, we investigate Bose-Einstein condensates in such a trap in Thomas-Fermi approximation and determine analytical expressions for chemical potential, internal energy, and Thomas-Fermi radii beyond the usual harmonic approximation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2010

Mott transitions of three-component fermionic atoms with repulsive interaction in optical lattices

We investigate the Mott transitions of three-component (colors) repulsive fermionic atoms in optical lattices using the dynamical mean-field theory. We find that for SU(3) symmetry-breaking interactions, the Mott transition occurs at incommensurate half filling. As a result, a characteristic Mott insulating state appears, where paired atoms with two different colors and atoms with the third color are localized, and either of these states is randomly distributed in each site. We also find another Mott state, where atoms with two different colors are randomly localized at different sites, and atoms with the third color remain itinerant. We demonstrate that double occupancy measurements show characteristics of these exotic Mott phases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

NMR relaxation in the spin-1 Heisenberg chain

For this research, we consider the isotropic S = 1 Heisenberg chain with a finite Haldane gap Δ and use state-of-the-art numerical techniques to investigate its dynamical properties at finite temperature, focusing on the nuclear spin-lattice relaxation rate 1/ T 1 measured in nuclear magnetic resonance (NMR) experiments, for instance. In particular, we analyze the contributions from modes with momenta close to q ≈ 0 and q ≈ π as a function of temperature. At higherature we observe spin diffusion, while at lowerature we argue that a simple activated behavior 1/ T 1 exp (-Δ/ T ) can be observed only at temperatures much smaller than the gap Δ.

1-dimensional spin chains↗
DOE OSTI2020

Driven-dissipative quantum mechanics on a lattice: Simulating a fermionic reservoir on a quantum computer

The driven-dissipative many-body problem remains one of the most challenging unsolved problems in quantum mechanics. The advent of quantum computers may provide a unique platform for efficiently simulating such driven-dissipative systems. But, there are many choices for how one can engineer the reservoir. One can simply employ ancilla qubits to act as a reservoir and then digitally simulate them via algorithmic cooling. A more attractive approach, which allows one to simulate an infinite reservoir, is to integrate out the bath degrees of freedom and describe the driven-dissipative system via a master equation, that can also be simulated on a quantum computer. In this work, we consider the particular case of noninteracting electrons on a lattice driven by an electric field and coupled to a fermionic thermostat. Then, we provide two different quantum circuits: the first one reconstructs the full dynamics of the system using Trotter steps, while the second one dissipatively prepares the final nonequilibrium steady state in a single step. We run both circuits on the IBM quantum experience. For circuit (i), we achieved up to five Trotter steps. When partial resets become available on quantum computers, we expect that the maximum simulation time can be significantly increased. Lastly, the methods developed here suggest generalizations that can be applied to simulating interacting driven-dissipative systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Quantum magnetism on small-world networks

While classical spin systems in random networks have been intensively studied, much less is known about quantum magnets in random graphs. In this work, we investigate interacting quantum spins on small-world networks, building on mean-field theory and extensive quantum Monte Carlo simulations. Starting from one-dimensional (1D) rings, we consider two situations: All-to-all interacting and long-range interactions randomly added. The effective infinite dimension of the lattice leads to a magnetic ordering at finite temperature Tc with mean-field criticality. Nevertheless, in contrast to the classical case, we find two distinct power-law behaviors for Tc versus the average strength of the extra couplings. This is controlled by a competition between a characteristic length scale of the random graph and the thermal correlation length of the underlying 1D system, thus challenging mean-field theories. We also investigate the fate of a gapped 1D spin chain against the small-world effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Magnetic impurity as a local probe of the $U(1)$ quantum spin liquid with spinon Fermi surface

We solve the problem of a magnetic impurity coupled to a U(1) quantum spin liquid with a spinon Fermi surface, and we compute the impurity spectral function. Using the slave rotor mean-field approach combined with gauge field fluctuations, we find that a peak located at the top of the lower Hubbard band and one at the bottom of the upper Hubbard band can emerge in the impurity spectral function. The peaks at the Hubbard band edges arise from the gauge field fluctuation-induced spinon-chargon binding inside the spinon Kondo screening cloud of the magnetic impurity. For a magnetic impurity embedded in a Mott insulator, our findings suggest that the emergence of a pair of peaks at the Hubbard band edges in the impurity density of states spectra provides strong evidence that the host Mott insulator is a U(1) quantum spin liquid with a spinon Fermi surface.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Signatures of non-Loudon-Fleury Raman scattering in the Kitaev magnet 𝛽−Li 2 ⁢IrO 3

We investigate the magnetic excitations of the hyperhoneycomb Kitaev magnet 𝛽−Li 2 ⁢IrO 3 by means of inelastic Raman scattering. The spectra exhibit the coexistence of a broad scattering continuum and two sharp low-energy peaks at 2.5 and 3 meV, with a distinctive polarization dependence. While the continuum is suggestive of fractional quasiparticles emerging from a proximate quantum spin liquid phase, the sharp peaks provide the first experimental signature of the “non-Loudon- Fleury” one-magnon scattering processes proposed recently. The corresponding microscopic mechanism is similar to the one leading to the symmetric off-diagonal exchange interaction Γ (because it involves a combination of both direct and ligand-mediated exchange paths) but is otherwise completely unexpected within the traditional Loudon-Fleury theory of Raman scattering. Furthermore, the present experimental verification therefore calls for a drastic reevaluation of Raman scattering in similar systems with strong spin-orbit coupling and multiple exchange paths.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Electronic structure of Co 3 d states in the Kitaev material candidate honeycomb cobaltate Na 3 Co 2 SbO 6 probed with x-ray dichroism

The recent prediction that honeycomb lattices of Co 2+ (3d 7 ) ions could host dominant Kitaev interactions provides an exciting direction for exploration of new routes to stabilizing Kitaev’s quantum spin liquid in real materials. Na 3 Co 2 SbO 6 has been singled out as a potential material candidate provided that spin and orbital moments couple into a J eff = $\frac{1}{2}$ ground state, and that the relative strength of trigonal crystal field and spin-orbit coupling acting on Co ions can be tailored. Using x-ray linear dichroism (XLD) and x-ray magnetic circular dichroism (XMCD) experiments, alongside configuration interaction calculations, we confirm the counterintuitive positive sign of the trigonal crystal field acting on Co 2+ ions and test the validity of the J eff = $\frac{1}{2}$ description of the electronic ground state. Furthermore, the results lend experimental support to recent theoretical predictions that a compression (elongation) of CoO 6 octahedra along (perpendicular to) the trigonal axis would drive this cobaltate toward the Kitaev limit, assuming the J eff = $\frac{1}{2}$ character of the electronic ground state is preserved.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Quasi-Lindblad pseudomode theory for open quantum systems

Here, we introduce a new framework to study the dynamics of open quantum systems with linearly coupled Gaussian baths. Our approach replaces the continuous bath with an auxiliary discrete set of pseudomodes with dissipative dynamics, but we further relax the complete positivity requirement in the Lindblad master equation and formulate a quasi-Lindblad pseudomode theory. We show that this quasi-Lindblad pseudomode formulation directly leads to a representation of the bath correlation function in terms of a complex weighted sum of complex exponentials, an expansion that is known to be rapidly convergent in practice and thus leads to a compact set of pseudomodes. The pseudomode representation is not unique and can differ by a gauge choice. When the global dynamics can be simulated exactly, the system dynamics is unique and independent of the specific pseudomode representation. However, the gauge choice may affect the stability of the global dynamics, and we provide an analysis of why and when the global dynamics can retain stability despite losing positivity. We showcase the performance of this formulation across various spectral densities in both bosonic and fermionic problems, finding significant improvements over conventional pseudomode formulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Exchange field effect in the crystal-field ground state of Ce M Al 4 Si 2

The crystal-field ground-state wave functions of the tetragonal, magnetically ordering Kondo lattice materials CeMAl 4 Si 2 (M = Rh, Ir, and Pt) are determined in this paper with low-temperature linearly polarized soft-x-ray absorption spectroscopy, and estimates for the crystal-field splittings are given from the temperature evolution of the linear dichroism. Values for the dominant exchange field in the magnetically ordered phases can be obtained from fitting the influence of magnetic order on the linear dichroism. The direction of the required exchange field is || c for the antiferromagnetic Rh and Ir compounds, with the corresponding strength of the order of λ ex ≈ 6 meV (65 K). Finally and furthermore, the presence of Kondo screening in the Rh and Ir compound is demonstrated on the basis of the absorption due to f 0 in the initial state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Currents and Green's functions of impurities out of equilibrium: Results from inchworm quantum Monte Carlo

Here, we generalize the recently developed inchworm quantum Monte Carlo method to the full Keldysh contour with forward, backward, and equilibrium branches to describe the dynamics of strongly correlated impurity problems with time-dependent parameters. We introduce a method to compute Green's functions, spectral functions, and currents for inchworm Monte Carlo and show how systematic error assessments in real time can be obtained. We then illustrate the capabilities of the algorithm with a study of the behavior of quantum impurities after an instantaneous voltage quench from a thermal equilibrium state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Dehybridization of f and d states in the heavy-fermion system YbRh 2 Si 2

Here, we report an optically induced reduction of the f-d hybridization in the prototypical heavy-fermion compound YbRh 2 Si 2 . We use femtosecond time- and angle-resolved photoemission spectroscopy to monitor changes of spectral weight and binding energies of the Yb 4f and Rh 4d states before the lattice temperature increases after pumping. Overall, the f-d hybridization decreases smoothly with increasing electronic temperature up to ~ 250 K but changes slope at ~ 100 K. This temperature scale coincides with the onset of coherent Kondo scattering and with thermally populating the first excited crystal electrical field level. Extending previous photoemission studies, we observe a persistent f-d hybridization up to at least ~ 250 K, which is far larger than the coherence temperature defined by transport but in agreement with the temperature dependence of the noninteger Yb valence. Our data underlines the distinction of probes accessing spin and charge degrees of freedom in strongly correlated systems.

36 MATERIALS SCIENCE↗