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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 757 records · Page 42
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DOE OSTI2018

Weyl and Dirac semimetals in three-dimensional solids

Weyl and Dirac semimetals are three-dimensional phases of matter with gapless electronic excitations that are protected by topology and symmetry. As three-dimensional analogs of graphene, they have generated much recent interest. Deep connections exist with particle physics models of relativistic chiral fermions, and, despite their gaplessness, to solid-state topological and Chern insulators. Their characteristic electronic properties lead to protected surface states and novel responses to applied electric and magnetic fields. The theoretical foundations of these phases, their proposed realizations in solid-state systems, and recent experiments on candidate materials as well as their relation to other states of matter are reviewed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Quantum transport of two-species Dirac fermions in dual-gated three-dimensional topological insulators

Topological insulators are a novel class of quantum matter with a gapped insulating bulk, yet gapless spin-helical Dirac fermion conducting surface states. Here, we report local and non-local electrical and magneto transport measurements in dual-gated BiSbTeSe 2 thin film topological insulator devices, with conduction dominated by the spatially separated top and bottom surfaces, each hosting a single species of Dirac fermions with independent gate control over the carrier type and density. We observe many intriguing quantum transport phenomena in such a fully tunable two-species topological Dirac gas, including a zero-magnetic-field minimum conductivity close to twice the conductance quantum at the double Dirac point, a series of ambipolar two-component half-integer Dirac quantum Hall states and an electron-hole total filling factor zero state (with a zero-Hall plateau), exhibiting dissipationless (chiral) and dissipative (non-chiral) edge conduction, respectively. As a result, such a system paves the way to explore rich physics, ranging from topological magnetoelectric effects to exciton condensation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Interlayer electronic transport in CaMnBi 2 antiferromagnet

Here, we report interlayer electronic transport in CaMnBi 2 single crystals. Quantum oscillations and angular magnetoresistance suggest coherent electronic conduction and valley polarized conduction of Dirac states. Furthermore, the small cyclotron mass, high mobility of carriers, and nontrivial Berry's phase are consistent with the presence of Dirac fermions on the side wall of the warped cylindrical Fermi surface. Similarly to SrMnBi 2 , which features an anisotropic Dirac cone, our results suggest that magnetic-field-induced changes in interlayer conduction are also present in layered bismuth-based materials with a zero-energy line in momentum space created by the staggered alkaline earth atoms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Quantum Field Theory of Nematic Transitions in Spin-Orbit-Coupled Spin-1 Polar Bosons

We theoretically study an ultracold gas of spin-1 polar bosons in a one-dimensional continuum, which are subject to linear and quadratic Zeeman fields and a Raman induced spin orbit coupling. Concentrating on the regime in which the background fields can be treated perturbatively, we analytically solve the model in its low-energy sector; i.e., we characterize the relevant phases and the quantum phase transitions between them. Depending on the sign of the effective quadratic Zeeman field ε, two superfluid phases with distinct nematic order appear. In addition, we uncover a spin-disordered superfluid phase at strong coupling. We employ a combination of renormalization group calculations and duality transformations to access the nature of the phase transitions. At ε=0, a line of spin-charge separated pairs of Luttinger liquids divides the two nematic phases, and the transition to the spin-disordered state at strong coupling is of the Berezinskii-Kosterlitz-Thouless type. In contrast, at ε≠0, the quantum critical theory separating nematic and strong coupling spin-disordered phases contains a Luttinger liquid in the charge sector that is coupled to a Majorana fermion in the spin sector (i.e., the critical theory at finite ε maps to a quantum critical Ising model that is coupled to the charge Luttinger liquid). Because of an emergent Lorentz symmetry, both have the same logarithmically diverging velocity. We discuss the experimental signatures of our findings that are relevant to ongoing experiments in ultracold atomic gases of 23 Na.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Entanglement between the Deconfinement and the Chiral Symmetry Restoration

We extend the Polyakov-loop extended Nambu-Jona-Lasinio (PNJL) model by introducing an effective four-quark vertex depending on the Polyakov loop. The effective vertex generates entanglement interactions between the Polyakov loop and the chiral condensate. The new model is consistent with lattice QCD data at imaginary quark-number chemical potential and real and imaginary isospin chemical potentials. We investigate the influence of the entanglement interactions on the location of the critical endpoint at real quark-number chemical potential.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Quantum phase transitions in long-range interacting hyperuniform spin chains in a transverse field

Hyperuniform states of matter are characterized by anomalous suppression of long-wavelength density fluctuations. While most of the interesting cases of disordered hyperuniformity are provided by complex many-body systems such as liquids or amorphous solids, classical spin chains with certain long-range interactions have been shown to demonstrate the same phenomenon. Such spin-chain systems are ideal models for exploring the effects of quantum mechanics on hyperuniformity. It is well-known that the transverse field Ising model shows a quantum phase transition (QPT) at zero temperature. Under the quantum effects of a transverse magnetic field, classical hyperuniform spin chains are expected to lose their hyperuniformity. High-precision simulations of these cases are complicated because of the presence of highly nontrivial long-range interactions. We perform an extensive analysis of these systems using density matrix renormalization group simulations to study the possibilities of phase transitions and the mechanism by which they lose hyperuniformity. Even for a spin chain of length 30, we see discontinuous changes in properties like the “τ order metric” of the ground state, the measure of hyperuniformity, and the second cumulant of the total magnetization along the x-direction, all suggestive of first-order QPTs. An interesting feature of the phase transitions in these disordered hyperuniform spin chains is that, depending on the parameter values, the presence of a transverse magnetic field may lead remarkably to an increase in the order of the ground state as measured by the “τ order metric,” even if hyperuniformity is lost. Therefore, it would be possible to design materials to target specific novel quantum behaviors in the presence of a transverse magnetic field. Our numerical investigations suggest that these spin chains can show no more than two QPTs. We further analyze the long-range interacting spin chains via the Jordan-Wigner mapping onto a system of spinless fermions, showing that under the pairwise-interaction approximation and a mean-field treatment, there can be at most two quantum phase transitions. Here, based on these numerical and theoretical explorations, we conjecture that for spin chains with long-range pair interactions that have convergent cosine transforms, there can be a maximum of two quantum phase transitions at zero temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Ladder physics in the spin fermion model

A link is established between the spin fermion (SF) model of the cuprates and the approach based on the analogy between the physics of doped Mott insulators in two dimensions and the physics of fermionic ladders. This enables one to use nonperturbative results derived for fermionic ladders to move beyond the large-N approximation in the SF model. Here, it is shown that the paramagnon exchange postulated in the SF model has exactly the right form to facilitate the emergence of the fully gapped d-Mott state in the region of the Brillouin zone at the hot spots of the Fermi surface. Hence, the SF model provides an adequate description of the pseudogap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Fluctuation-induced continuous transition and quantum criticality in Dirac semimetals

In this paper, we establish a scenario where fluctuations of new degrees of freedom at a quantum phase transition change the nature of a transition beyond the standard Landau-Ginzburg paradigm. To this end, we study the quantum phase transition of gapless Dirac fermions coupled to a Z 3 symmetric order parameter within a Gross-Neveu-Yukawa model in 2+1 dimensions, appropriate for the Kekulé transition in honeycomb lattice materials. For this model, the standard Landau-Ginzburg approach suggests a first-order transition due to the symmetry-allowed cubic terms in the action. At zero temperature, however, quantum fluctuations of the massless Dirac fermions have to be included. We show that they reduce the putative first-order character of the transition and can even render it continuous, depending on the number of Dirac fermions N f . A nonperturbative functional renormalization group approach is employed to investigate the phase transition for a wide range of fermion numbers and we obtain the critical N f , where the nature of the transition changes. Furthermore, it is shown that for large N f the change from the first to second order of the transition as a function of dimension occurs exactly in the physical 2+1 dimensions. Finally, we compute the critical exponents and predict sizable corrections to scaling for N f = 2.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Crucial role of thermal fluctuations and vertex corrections for the magnetic pseudogap

It is generally believed that in a two-dimensional metal, whose ground state is antiferromagnetically ordered with Q = (π,π), thermal (static) magnetic fluctuations give rise to precursor behavior above TN in which the spectral function of a hot fermion (the one for which k and k + Q are Fermi surface points) contains two peaks, separated by roughly the same energy as in the antiferromagnetically ordered state. The two peaks persist in some range of T > T N and eventually merge into a single peak at zero frequency. This behavior is obtained theoretically by departing from free fermions in a paramagnet and evaluating the dressed fermionic Green's function by summing up infinite series of diagrams with contributions from thermal magnetic fluctuations. We show, following that keeping vertex renormalization diagrams in these series is crucial as other terms only broaden the spectral function of a hot fermion but do not shift its maximum away from zero frequency. As the consequence, the magnetic pseudogap should be treated as an input for theories that neglect vertex corrections, such as, e.g., Eliashberg theory for magnetically mediated superconductivity. We also analyze the potential pseudogap behavior at T = 0. Here, we argue that it may exist, but only at a finite correlation length, and not as a precursor to antiferromagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Sensitivity of time-dependent density functional theory to initial conditions

Time-dependent density-functional theory is mathematically formulated through nonlinear coupled time-dependent three-dimensional partial differential equations, and it is natural to expect a strong sensitivity of its solutions to variations of the initial conditions, akin to the butterfly effect ubiquitous in classical dynamics. Since the Schrödinger equation for an interacting many-body system is, however, linear and mathematically the exact equations of the density-functional theory reproduce the corresponding one-body properties, it would follow that the Lyapunov exponents are also vanishing within a density-functional theory framework. Whether for realistic implementations of the time-dependent density-functional theory the question of the absence of the butterfly effect and whether the dynamics provided is indeed a predictable theory was never discussed. At the same time, since the time-dependent density-functional theory is a unique tool allowing us to study the nonequilibrium dynamics of strongly interacting many-fermion systems, the question of predictability of this theoretical framework is of paramount importance. Here our analysis, for a number of quantum superfluid many-body systems (unitary Fermi gas, nuclear fission, and heavy-ion collisions) with a classical equivalent number of degrees of freedom O(10 10 ) and larger, suggests that its maximum Lyapunov exponents are negligible for all practical purposes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Particle-hole symmetric slave-boson method for the mixed valence problem

We introduce an analytic slave-boson method for treating the finite-𝑈 Anderson impurity model. Our approach introduces two bosons to track both 𝑄 ⇌ 𝑄 ± 1 valence fluctuations and reduces to a single symmetric 𝑠 boson in the effective action, encoding all the high-energy atomic physics information in the boson's kinematics, while the low-energy part of the action remains unchanged across finite-𝑈, infinite-𝑈, and Kondo limits. We recover the infinite-𝑈- and Kondo-limit actions from our approach and show that the Kondo resonance already develops in the normal state when the slave boson has yet to condense. We show that the slave rotor and 𝑠 boson have the same algebraic structure, and we establish a unified functional integral framework connecting the 𝑠-boson and slave-rotor representations for the single-impurity Anderson model.

Anderson impurity model↗
DOE OSTI2019

Time-Dependent Density Functional Theory for Fermionic Superfluids: From Cold Atomic Gases - To Nuclei and Neutron Stars Crust

We report in cold atoms and in the crust of neutron stars, the pairing gap can reach values comparable with the Fermi energy. While in nuclei the neutron gap is smaller, it is still of the order of a few percent of the Fermi energy. The pairing mechanism in these systems is due to short range attractive interactions between fermions and the size of the Cooper pair is either comparable to the inter-particle separation or it can be as big as a nucleus, which is still relatively small in size. Such a strong pairing gap is the result of the superposition of a very large number of particle–particle configurations, which contribute to the formation of the Cooper pairs. These systems have been shown to be the host of a large number of remarkable phenomena, in which the large magnitude of the pairing gap plays an essential role: quantum shock waves, quantum turbulence, Anderson–Bogoliubov–Higgs mode, vortex rings, domain walls, soliton vortices, vortex pinning in neutron star crust, unexpected dynamics of fragmented condensates and role of pairing correlations in collisions on heavy-ions, Larkin–Ovchinnikov phase as an example of a Fermi supersolid, role of pairing correlations in controlling the dynamics of fissioning nuclei.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Electronic properties of a Weyl semimetal in crossed magnetic and electric fields

The study of Weyl semimetals is one of the most challenging problems of condensed matter physics. These materials exhibit interesting properties in a magnetic field. In this work, we investigate the Landau bands and the density of states (DOS) oscillations in a Weyl semimetal in crossed magnetic and electric fields. An expression is obtained for the energy spectrum of the system using the following three different methods: an algebraic approach, a Lorentz shift-based approach, and a quasi-classical approach. It is interesting that the energy spectrum calculated in terms of the quasi-classical approach coincides with the spectrum obtained using the microscopic approaches. An electric field is shown to change the Landau bands radically. In addition, the classical motion of a three-dimensional Dirac fermion in crossed fields is studied. In the case of a Dirac spectrum, the longitudinal (with respect to magnetic field) component of momentum (p{sub z} ǁ H) is shown to be an oscillating function of the magnetic field. When the electric field is v⊥H/c, the Landau levels collapse and the motion becomes fully linear in an unusual manner. In this case, the wavefunction of bulk states vanishes and only states with p{sub z} = 0 are retained. An electric field affects the character of DOS oscillations. An analytical expression is obtained for the quantum capacitance in crossed fields in the cases of strong and weak electric fields. Thus, an electric field is an additional parameter for adjusting the diamagnetic properties of Weyl semimetals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Quantum oscillations in the heavy-fermion compound YbPtBi

We present quantum oscillations observed in the heavy-fermion compound YbPtBi in magnetic fields far beyond its field-tuned, quantum critical point. Quantum oscillations are observed in magnetic fields as low as 60 kOe at 60 mK and up to temperatures as high as 3 K, which confirms the very high quality of the samples as well as the small effective mass of the conduction carriers far from the quantum critical point. Although the electronic specific heat coefficient of YbPtBi reaches ~7.4 J/molK 2 in zero field, which is one of the highest effective mass values among heavy-fermion systems, we suppress it quickly by an applied magnetic field. The quantum oscillations were used to extract the quasiparticle effective masses of the order of the bare electron mass, which is consistent with the behavior observed in specific heat measurements. Furthermore, such small effective masses at high fields can be understood by considering the suppression of Kondo screening.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Two-Dimensional Non-Fermi-Liquid Metals: A Solvable Large- N Limit

Significant effort has been devoted to the study of “non-Fermi-liquid” (NFL) metals: gapless conducting systems that lack a quasiparticle description. One class of NFL metals involves a finite density of fermions interacting with soft order parameter fluctuations near a quantum critical point. The problem has been extensively studied in a large- N limit ( N corresponding to the number of fermion flavors) where universal behavior can be obtained by solving a set of coupled saddle-point equations. However, a remarkable study by Lee revealed the breakdown of such approximations in two spatial dimensions. We show that an alternate approach, in which the fermions belong to the fundamental representation of a global SU( N ) flavor symmetry, while the order parameter fields transform under the adjoint representation (a “matrix large- N ” theory), yields a tractable large N limit. At low energies, the system consists of an overdamped boson with dynamical exponent z = 3 coupled to a non-Fermi-liquid with self-energy Σ(ω)~ω 2/3 , consistent with previous studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

DMFT Reveals the Non-Hermitian Topology and Fermi Arcs in Heavy-Fermion Systems

When a strongly correlated system supports well-defined quasiparticles, it allows for an elegant one-body effective description within the non-Hermitian topological theory. While the microscopic many-body Hamiltonian of a closed system remains Hermitian, the one-body quasiparticle Hamiltonian is non-Hermitian due to the finite quasiparticle lifetime. We use such a non-Hermitian description in the heavy-fermion two-dimensional systems with the momentum-dependent hybridization to reveal a fascinating phenomenon which can be directly probed by the spectroscopic measurements, the bulk “Fermi arcs.” Starting from a simple two-band model, we first combine the phenomenological approach with the perturbation theory to show the existence of the Fermi arcs and reveal their connection to the topological exceptional points, special points in the Brillouin zone where the Hamiltonian is nondiagonalizable. The appearance of such points necessarily requires that the electrons belonging to different orbitals have different lifetimes. This requirement is naturally satisfied in the heavy-fermion systems, where the itinerant c electrons experience much weaker interaction than the localized f electrons. We then utilize the dynamical mean field theory to numerically calculate the spectral function and confirm our findings. We show here that the concept of the exceptional points in the non-Hermitian quasiparticle Hamiltonians is a powerful tool for predicting new phenomena in strongly correlated electron systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Identification of non-Fermi liquid fermionic self-energy from quantum Monte Carlo data

Quantum Monte Carlo (QMC) simulations of correlated electron systems provide unbiased information about system behavior at a quantum critical point (QCP) and can verify or disprove the existing theories of non-Fermi liquid (NFL) behavior at a QCP. However, simulations are carried out at a finite temperature, where quantum critical features are masked by finite-temperature effects. Here, we present a theoretical framework within which it is possible to separate thermal and quantum effects and extract the information about NFL physics at T = 0. We demonstrate our method for a specific example of 2D fermions near an Ising ferromagnetic QCP. We show that one can extract from QMC data the zero-temperature form of fermionic self-energy Σ(ω) even though the leading contribution to the self-energy comes from thermal effects. We find that the frequency dependence of Σ(ω) agrees well with the analytic form obtained within the Eliashberg theory of dynamical quantum criticality, and obeys ω 2/3 scaling at low frequencies. Our results open up an avenue for QMC studies of quantum critical metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Observation of topological Dirac fermions and surface states in superconducting BaSn3

The interplay between topological electronic structure and superconductivity has attracted tremendous research interests recently as they could induce topological superconductivity (TSCs) which may be used to realize topological qubits for quantum computation. Among various TSC candidates, superconducting BaSn 3 (T c ~ 4.4K) has been predicted to be a topological Dirac semimetal (TDS) hosting two pairs of Dirac points along the Γ-A direction. Here, by combining the use of angle-resolved photoemission spectroscopy and ab initio calculations, we identified the predicted topological Dirac fermions and confirmed the TDS nature of the compound. In addition, we observed surface states connecting the Dirac points. Our observations demonstrate BaSn 3 as a superconductor with nontrivial topological electronic structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗