Magnetic impurity in hybrid and type-Ⅱ nodal line semimetals

We study the Kondo screening of a spin-1/2 magnetic impurity in the hybrid nodal line semimetals(NLSMs) and the type-Ⅱ NLSMs by using the variational method. We mainly study the binding energy and the spin–spin correlation between magnetic impurity and conduction electrons. We find that in both the hybrid and type-Ⅱ cases, the density of states(DOS) is always finite, so the impurity and the conduction electrons always form bound states, and the bound state is more easily formed when the DOS is large. Meanwhile, due to the unique dispersion relation and the spin–orbit couplings in the NLSMs, the spatial spin–spin correlation components show very interesting features. Most saliently, various components of the spatial spin–spin correlation function decay with 1/r~2 in the hybrid NLSMs, while they follow 1/r~3 decay in the type-Ⅱ NLSMs. This property is mainly caused by the special band structures in the NLSMs, and it can work as a fingerprint to distinguish the two types of NLSMs.     

Gap-anisotropic model for the narrow-Gap kondo insulators

A theory is presented which accounts for the dynamical generation of a hybridization gap with nodes in the Kondo insulating materials CeNiSn and CeRhSb. We show that Hund's interactions acting on virtual 4f(2) configurations of the cerium ion can act to dynamically select the shape of the cerium ion by generating a Weiss field which couples to the shape of the ion. In low symmetry crystals where the external crystal fields are negligible, this process selects a nodal Kondo semimetal state as the lowest energy configuration.     

Holographic superconductor on a novel insulator

We construct a holographic superconductor model, based on a gravity theory, which exhibits novel metal-insulator transitions. We investigate the condition for the condensation of the scalar field over the parameter space, and then focus on the superconductivity over the insulating phase with a hard gap, which is supposed to be Mott-like. It turns out that the formation of the hard gap in the insulating phase benefits the superconductivity.This phenomenon is analogous to the fact that the pseudogap phase can promote the pre-pairing of electrons in high Tccuprates. We expect that this work can shed light on understanding the mechanism of high Tcsuperconductivity from the holographic side.     

Pseudo topological insulators

We predict pseudo topological insulators that have been previously overlooked. We determine some conditions under which robust pseudo topological edge states appear and illustrate our idea on the Su–Schrieffer–Heeger (SSH) model with extra chiral symmetry breaking potentials. We discuss that pseudo topological insulating phase transition occurs without band gap closing.     

Topological hinge modes in Dirac semimetals

Dirac semimetals (DSMs) are an important class of topological states of matter. Here, focusing on DSMs of band inversion type, we investigate their boundary modes from the effective model perspective. We show that in order to properly capture the boundary modes, k-cubic terms must be included in the effective model, which would drive an evolution of surface degeneracy manifold from a nodal line to a nodal point. Sizable k-cubic terms are also needed for better exposing the topological hinge modes in the spectrum. Using first-principles calculations, we demonstrate that this feature and the topological hinge modes can be clearly exhibited in β-CuI. We extend the discussion to magnetic DSMs and show that the time-reversal symmetry breaking can gap out the surface bands and hence is beneficial for the experimental detection of hinge modes. Furthermore, we show that magnetic DSMs serve as a parent state for realizing multiple other higher-order topological phases, including higher-order Weyl-point/nodal-line semimetals and higher-order topological insulators.     

Nodal-antinodal dichotomy and the two gaps of a superconducting doped Mott insulator

We study the superconducting state of the hole-doped two-dimensional Hubbard model using cellular dynamical mean-field theory, with the Lanczos method as impurity solver. In the underdoped regime, we find a natural decomposition of the one-particle (photoemission) energy gap into two components. The gap in the nodal regions, stemming from the anomalous self-energy, decreases with decreasing doping. The antinodal gap has an additional contribution from the normal component of the self-energy, inherited from the normal-state pseudogap, and it increases as the Mott insulating phase is approached.     

Electrically controllable surface magnetism on the surface of topological insulators

We study theoretically the RKKY interaction between magnetic impurities on the surface of three-dimensional topological insulators, mediated by the helical Dirac electrons. Exact analytical expression shows that the RKKY interaction consists of the Heisenberg-like, Ising-like, and Dzyaloshinskii-Moriya (DM)-like terms. It provides us a new way to control surface magnetism electrically. The gap opened by doped magnetic ions can lead to a short-range Bloembergen-Rowland interaction. The competition among the Heisenberg, Ising, and DM terms leads to rich spin configurations and an anomalous Hall effect on different lattices.     

Field induced magnetic ordering transition in Kondo insulators

We study the 2D Kondo insulators in a uniform magnetic field using quantum Monte Carlo simulations of the particle-hole symmetric Kondo lattice model and a mean field analysis of the Periodic Anderson model. We find that the field induces a transition to an insulating, antiferromagnetically ordered phase with staggered moment in the plane perpendicular to the field. For fields in excess of the quasi-particle gap, corresponding to a metal in a simple band picture of the periodic Anderson model, we find that the metallic phase is unstable towards the spin density wave type ordering for any finite value of the interaction strength. This can be understood as a consequence of the perfect nesting of the particle and hole Fermi surfaces that emerge as the field closes the gap. We propose a phase diagram and investigate the quasi-particle and charge excitations in the magnetic field. We find good agreement between the mean-field and quantum Monte Carlo results.Received: 17 December 2003, Published online: 8 June 2004PACS: 71.27. + a Strongly correlated electron systems; heavy fermions - 71.10.Fd Lattice fermion models (Hubbard model, etc.) - 71.30. + h Metal-insulator transitions and other electronic transitions - 75.30.Mb Valence fluctuation, Kondo lattice, and heavy-fermion phenomena - 75.30.Fv Spin-density waves     

Thermomodulation experiments at the cubic-to-tetragonal phase transition in SrTiO3

After a brief comment on the important features of strontium titanate and a critical review of recent optical work in this material, thermoabsorption results at the cubic-to-tetragonal second-order phase transition are reported. Use of insulating samples has been possible by means of indirect heating. Optical evidence of the phase change is seen for the momentum-forbidden transitions starting at the indirect gap energy. This is discussed in terms of the relaxation of the momentum condition brought about by structural fluctuations near the transition temperature T₀. Part of the effect may be related to the increasing static distortion of the lattice in the tetragonal state. The results presented also confirm earlier pictures of the absorption threshold as due to LO-phonon-assisted Γ₁₅→X₃ transitions (with phonon energy equal to 52 meV). Furthermore, in the vicinity of T₀, an extra thermomodulation signal, corresponding to a weak absorption threshold ? 20 meV higher than the gap, becomes visible. This critical point is also particularly sensitive to the application of electric fields, as found by electroabsorption results obtained at liquid nitrogen temperature.     

Nodal d + id pairing and topological phases on the triangular lattice of Na(x)CoO(2).yH(2)O: evidence for an unconventional superconducting state

We show that finite angular momentum pairing chiral superconductors on the triangular lattice have point zeroes in the complex gap function. A topological quantum phase transition takes place through a nodal superconducting state at a specific carrier density x(c) where the normal state Fermi surface crosses the isolated zeros. For spin-singlet pairing, we show that the second-nearest-neighbor (d+id)-wave pairing can be the dominant pairing channel. The gapless critical state at x (c) approximately 0.25 has six Dirac points and is topologically nontrivial with a T3 spin relaxation rate below T(c). This picture provides a possible explanation for the unconventional superconducting state of Na(x)Co O(2). yH(2)O. Analyzing a pairing model with strong correlation using the Gutzwiller projection and symmetry arguments, we study these topological phases and phase transitions as a function of Na doping.     

Macroscopic phase-field model of partial wetting: bubbles in a capillary tube

Drops and bubbles are nonspreading, local, compactly supported features. They are also equilibrium configurations in partial wetting phenomena. Yet, current macroscopic theories of capillary-dominated flow are unable to describe these systems. We propose a framework to model multiphase flow in porous media with nonspreading equilibrium configurations. We illustrate our approach with a one-dimensional model of two-phase flow in a capillary tube. Our model allows for the presence of compactons: nonspreading steady-state solutions in the absence of external forces. We show that local rate dependency is not needed to explain globally rate-dependent displacement patterns, and we interpret dynamic wetting transitions as the route from equilibrium, capillary-dominated configurations, towards viscous-dominated flow. Mathematically, these transitions are possible due to nonclassical shock solutions and the role of bistability and higher-order terms in our model.     

Topological nodal line semimetals

We review the recent,mainly theoretical,progress in the study of topological nodal line semimetals in three dimensions.In these semimetals,the conduction and the valence bands cross each other along a one-dimensional curve in the three-dimensional Brillouin zone,and any perturbation that preserves a certain symmetry group(generated by either spatial symmetries or time-reversal symmetry) cannot remove this crossing line and open a full direct gap between the two bands.The nodal line(s) is hence topologically protected by the symmetry group,and can be associated with a topological invariant.In this review,(ⅰ) we enumerate the symmetry groups that may protect a topological nodal line;(ⅱ) we write down the explicit form of the topological invariant for each of these symmetry groups in terms of the wave functions on the Fermi surface,establishing a topological classification;(ⅲ) for certain classes,we review the proposals for the realization of these semimetals in real materials;(ⅳ) we discuss different scenarios that when the protecting symmetry is broken,how a topological nodal line semimetal becomes Weyl semimetals,Dirac semimetals,and other topological phases;and(ⅴ) we discuss the possible physical effects accessible to experimental probes in these materials.     

Conditions for the production of a single conducting nanostructure by electroforming

The process of electroforming (the production of a carboniferous conducting medium when the current flows through an organic material under a high electric field) in open sandwichlike structures with an insulating gap several tens of nanometers in width is considered. It is shown experimentally that there are factors that both favor (external ballast resistor) and prevent (local spreading resistance and the presence of the initial conductivity in the insulating gap) the production of a single conducting element between the electrodes. A simple model of the process in terms of the equivalent electric circuit is proposed. The model helps to find the trade-off between these factors and to construct an I-V diagram, which exhibits a region within which a single conducting nanostructure can be electroformed. An expression that relates the minimum permissible resistance of the nanostructure to its geometric parameters is derived.     

Machine learning phase transitions of the three-dimensional Ising universality class

Exploration of the QCD phase diagram and critical point is one of the main goals in current relativistic heavy-ion collisions. The QCD critical point is expected to belong to a three-dimensional (3D) Ising universality class. Machine learning techniques are found to be powerful in distinguishing different phases of matter and provide a new way to study the phase diagram. We investigate phase transitions in the 3D cubic Ising model using supervised learning methods. It is found that a 3D convolutional neural network can be trained to effectively predict physical quantities in different spin configurations. With a uniform neural network architecture, it can encode phases of matter and identify both second- and first-order phase transitions. The important features that discriminate different phases in the classification processes are investigated. These findings can help study and understand QCD phase transitions in relativistic heavy-ion collisions.     

Interfacial protection of topological surface states in ultrathin Sb films

Spin-polarized gapless surface states in topological insulators form chiral Dirac cones. When such materials are reduced to thin films, the Dirac states on the two faces of the film can overlap and couple by quantum tunneling, resulting in a thickness-dependent insulating gap at the Dirac point. Calculations for a freestanding Sb film with a thickness of four atomic bilayers yield a gap of 36 meV, yet angle-resolved photoemission measurements of a film grown on Si(111) reveal no gap formation. The surprisingly robust Dirac cone is explained by calculations in terms of interfacial interaction.     

Electronic Raman spectra in iron-based superconductors with two-orbital model

Electronic Raman spectra in iron-based superconductors with two-orbital model is discussed. In the orbital space, some possible pairing symmetries of the gap are selected. To further discriminate them, electronic Raman spectra and spectra weight at Fermi surface (FS) which helps understand the Raman spectra are calculated in each case. From the low energy threshold, the number of Raman peaks, and the low frequency power law behavior, we can judge whether it is full gap or nodal gap, and even one gap or multi-gaps. The results provide useful predictions for comparison with experiments.     

Orbital ordering in e(g) orbital systems: ground states and thermodynamics of the 120° model

Orbital degrees of freedom shape many of the properties of a wide class of Mott insulating, transition metal oxides with partially filled 3d shells. Here we study orbital ordering transitions in systems where a single electron occupies the e(g) orbital doublet and the spatially highly anisotropic orbital interactions can be captured by an orbital-only model, often called the 120° model. Our analysis of both the classical and quantum limits of this model in an extended parameter space shows that the 120° model is in close proximity to several T=0 phase transitions and various competing ordered phases. We characterize the orbital order of these nearby phases and their associated thermal phase transitions by extensive numerical simulations and perturbative arguments.     

Microscopic theory of non local pair correlations in metallic F/S/F trilayers

We consider a microscopic theory of F/S/F trilayers with metallic or insulating ferromagnets. The trilayer with metallic ferromagnets is controlled by the formation of non local pair correlations among the two ferromagnets which do not exist with insulating ferromagnets. The difference between the insulating and ferromagnetic models can be understood from lowest order diagrams. Metallic ferromagnets are controlled by non local pair correlations and the superconducting gap is larger if the ferromagnetic electrodes have a parallel spin orientation. Insulating ferromagnets are controlled by pair breaking and the superconducting gap is smaller if the ferromagnetic electrodes have a parallel spin orientation. The same behavior is found in the presence of disorder in the microscopic phase variables and also in the presence of a partial spin polarization of the ferromagnets. The different behaviors of the metallic and insulating trilayers may be probed in experiments. Received 4 July 2001 and Received in final form 8 November 2001     

Reliability of hybrid functionals in predicting band gaps

We show that orbital energies from existing hybrid functionals do not give reliable band gaps. Even if a functional yields a good bulk gap, it in general does not provide accurate gaps in different structural configurations, e.g., surfaces or nanostructures. For example, none of the popular hybrid functionals adequately describe the surface-state gap of the Si(111)-(2 × 1) surface. For graphene nanoribbons, some hybrid functionals give good optical gaps (neglecting strong excitonic effects), but not quasiparticle gaps. In both cases, there are strong variations from different hybrid functionals.     

Continuum of many-particle states near the metal-insulator transition in the Hubbard model

The strong coupling diagram technique is used for investigating states near the metal-insulator transition in the half-filled two-dimensional repulsive Hubbard model. The nonlocal third-order term is included in the irreducible part along with local terms of lower orders. Derived equations for the electron Green’s function are solved by iteration for moderate Hubbard repulsions and temperatures. Starting iteration from Green’s functions of the Hubbard-I approximation with various distances of poles from the real frequency axis continua of different metallic and insulating solutions are obtained. The insulating solutions vary in the width of the Mott gap, while the metallic solutions differ in the shape of the spectral function in the vicinity of the Fermi level. Besides, different scenarios of the metal-insulator transition – with a sudden onset of a band of mobile states near the Fermi level and with gradual closure of the Mott gap – are observed with a change in temperature. In spite of these dissimilarities, all solutions have a common curve separating metallic and insulating states in the phase diagram. Near this curve metallic and insulating solutions coexist. For moderate Hubbard repulsions metallic solutions are not Fermi liquids.