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At least 775 records · Page 43

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↗

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↗

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↗

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↗

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↗

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↗

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↗

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↗

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↗

Competing instabilities, orbital ordering, and splitting of band degeneracies from a parquet renormalization group analysis of a four-pocket model for iron-based superconductors: Application to FeSe

Here, we report the results of a parquet renormalization group (RG) study of competing instabilities in the full 2D four-pocket, three-orbital low-energy model for iron-based superconductors. We derive and analyze the RG flow of the couplings, which describes all symmetry-allowed interactions between low-energy fermions. Despite that the number of the couplings is large, we argue that there are only two stable fixed trajectories of the RG flow and one weakly unstable fixed trajectory with a single unstable direction. Each fixed trajectory has a finite basin of attraction in the space of initial system parameters. On the stable trajectories, either interactions involving only d xz and d yz or only d xy orbital components on electron pockets dominate, while on the weakly unstable trajectory interactions involving d xz (d yz ) and d xy orbital states on electron pockets remain comparable. The behavior along the two stable fixed trajectories has been analyzed earlier [Chubukov, Khodas, and Fernandes, Phys. Rev. X 6, 041045 (2016)]. Here we focus on the system behavior along the weakly unstable trajectory and apply the results to FeSe. We find, based on the analysis of susceptibilities along this trajectory, that the leading instability upon lowering the temperature is towards a three-component d -wave orbital nematic order. Two components are the differences between fermionic densities on d xz and d xz and d yz orbitals on hole pockets and on electron pockets, and the third one is the difference between the densities of d xy orbitals on the two electron pockets. We argue that this order is consistent with the splitting of band degeneracies, observed in recent photoemission data on FeSe by Fedorov et al. [Sci. Rep. 6, 36834 (2016)].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dense stellar matter with strange quark matter driven by kaon condensation

The core of neutron-star matter is supposed to be at a much higher density than the normal nuclear-matter density, for which various possibilities have been suggested, such as, for example, meson or hyperon condensation and/or deconfined quark or color-superconducting matter. In this work, we explore the implication on hadron physics of a dense compact object that has three ''phases'': nuclear matter at the outer layer, kaon condensed nuclear matter in the middle, and strange quark matter at the core. Using a drastically simplified but not unreasonable model, we develop the scenario where the different phases are smoothly connected with the kaon condensed matter playing a role of a ''doorway'' to a quark core, the equation of state of which with parameters restricted within the range allowed by nature could be made compatible with the mass vs radius constraint given by the 1.97-solar-mass object PSR J1614-2230 recently observed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Low energy properties of the Kondo chain in the RKKY regime

We study the Kondo chain in the regime of high spin concentration where the low energy physics is dominated by the Ruderman–Kittel–Kasuya–Yosida interaction. As has been recently shown (Tsvelik and Yevtushenko 2015 Phys. Rev. Lett. 115 216402), this model has two phases with drastically different transport properties depending on the anisotropy of the exchange interaction. In particular, the helical symmetry of the fermions is spontaneously broken when the anisotropy is of the easy plane type. This leads to a parametrical suppression of the localization effects. In the present paper we substantially extend the previous theory, in particular, by analyzing a competition of forward- and backward- scattering, including into the theory short range electron interactions and calculating spin correlation functions. In conclusion, we discuss applicability of our theory and possible experiments which could support the theoretical findings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Observation of topological surface states and strong electron/hole imbalance in extreme magnetoresistance compound LaBi

The recent discovery of the extreme magnetoresistance (XMR) in the nonmagnetic rare-earth monopnictides La X (X = P, As, Sb, Bi,), a recently proposed new topological semimetal family, has inspired intensive research effort in the exploration of the correlation between the XMR and their electronic structures. Here in this work, using angle-resolved photoemission spectroscopy to investigate the three-dimensional band structure of LaBi, we unraveled its topologically nontrivial nature with the observation of multiple topological surface Dirac fermions, as supported by our ab initio calculations. Furthermore, we observed substantial imbalance between the volume of electron and hole pockets, which rules out the electron-hole compensation as the primary cause of the XMR in LaBi.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Free energy and specific heat near a quantum critical point of a metal

We analyze the free energy and the specific heat for fermions interacting with a gapless boson at a quantum-critical point (QCP) in a metal. We use the Luttinger-Ward-Eliashberg formula for the free energy in the normal state, which includes contributions from bosons, fermions, and their interaction, all expressed via fully dressed fermionic and bosonic propagators. The sum of the last two contributions is the free energy F γ of an effective low-energy model of fermions with boson-mediated dynamical 4-fermion interaction V(Ω m ) ∝ 1/|Ω m | γ (the γ model). This purely electronic model has been used to analyze the interplay between non-Fermi liquid behavior and pairing near a QCP, which are both independent of the upper energy cutoff Λ. However, the specific heat C γ (T), obtained from F γ , does depend on Λ. We argue that this dependence is spurious and cancels out, once we include the contribution from bosons. We further argue that the full C(T) is the sum of the contribution from free fermions and the one from a critical boson, with the fully dressed propagator, other terms cancel out. We compare the full C(T) with the C γ (T), obtained using recently proposed regularization of F γ . We argue that for γ < 1, the full C(T) and the regularized C γ (T) differ by a γ-dependent prefactor, while for γ > 1, the full C(T) and C γ (T) differ by the positive contribution from free massless fermions (a positive constant for the electron-phonon case γ = 2). For these γ, C γ (T) is negative, but the full C(T) is positive. We argue that only the full C(T) matters as the positive and the negative contributions originate from the term in C(T) which contains the fully dressed bosonic propagator. Here, we then argue that the normal state remains stable until the pairing instability develops.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Charge density wave order, local lattice distortions, and topological electronic states in Nb Te 4

Assessing the atomic and electronic structure of strongly correlated systems in which the crystal symmetry changes due to emergent lattice distortions, such as charge density waves (CDWs), is nontrivial because the distortions are not necessarily amenable to a traditional crystallographic description. Using advance scattering and modeling techniques, we reveal the evolution of the atomic displacement modes behind the CDW phases of quasi-one-dimensional NbTe 4 and also derive the so far unknown atomic structure of its low-temperature commensurate (C) CDW phase. Electronic structure calculations based on the experimental C-CDW structure data predict the existence of Dirac fermions whose multiplicity turns out to depend on the degree of lattice distortions accounted for in the experimental structure derivation. Finally, we argue that the electronic structure of CDW systems in general, and in particular in transition metal tetra-tellurides, can be strongly impacted by local lattice distortions and, therefore, they should be fully accounted for when their rich physics is considered.

36 MATERIALS SCIENCE↗

Probing transport in quantum many-fermion simulations via quantum loop topography

Quantum many-fermion systems give rise to diverse states of matter that often reveal themselves in distinctive transport properties. While some of these states can be captured by microscopic models accessible to numerical exact quantum Monte Carlo simulations, it nevertheless remains challenging to numerically access their transport properties. Here, we demonstrate that quantum loop topography (QLT) can be used to directly probe transport by machine learning current-current correlations in imaginary time. We showcase this approach by studying the emergence of superconducting fluctuations in the negative-U Hubbard model and a spin-fermion model for a metallic quantum critical point. For both sign-free models, we find that the QLT approach detects a change in transport in very good agreement with their established phase diagrams. Furthermore, these proof-of-principle calculations combined with the numerical efficiency of the QLT approach point a way to identify hitherto elusive transport phenomena such as non-Fermi liquids using machine learning algorithms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Photoinduced Nonequilibrium Topological States in Strained Black Phosphorus

Black phosphorus (BP), an elemental semiconductor, has attracted tremendous interest because it exhibits a wealth of interesting electronic and optoelectronic properties in equilibrium condition. The nonequilibrium electronic structures of bulk BP under a periodic field of laser remain unexplored, but can lead to intriguing topological optoelectronic properties. Here we show that, under the irradiation of circularly polarized light (CPL), BP exhibits a photon-dressed Floquet-Dirac semimetal state, which can be continuously tuned by changing the direction, intensity, and frequency of the incident laser. The topological phase transition from type-I to type-II Floquet-Dirac fermions manifests a new form of type-III phase, which exists in a wide range of intensities and frequencies of the incident laser. Furthermore, topological surface states exhibit nonequilibrium electron transport in a direction locked by the helicity of CPL. Our findings not only deepen our understanding of fundamental properties of BP in relation to topology but also extend optoelectronic device applications of BP to the nonequilibrium regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Monte Carlo Studies of Quantum Critical Metals

Metallic quantum critical phenomena are believed to play a key role in many strongly correlated materials, including high-temperature superconductors. Theoretically, the problem of quantum criticality in the presence of a Fermi surface has proven to be highly challenging. Yet, it has recently been realized that many models used to describe such systems are amenable to numerically exact solution by quantum Monte Carlo (QMC) techniques, without suffering from the fermion sign problem. In this review, we examine the status of the understanding of metallic quantum criticality and the recent progress made by QMC simulations. We focus on the cases of spin-density wave and Ising nematic criticality. We describe the results obtained so far and their implications for superconductivity, non-Fermi liquid behavior, and transport near metallic quantum critical points. Some of the outstanding puzzles and future directions are specified.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗