Short-range Electron-electron Interactions Research Articles

Tunneling maps of interacting electrons in real time: Anomalous tunneling in quantum point-contacts beyond the steady state regime

Strongly correlated transport of interacting electrons through the one-dimensional tunnel contact is considered within the Luttinger liquid model of one-dimensional electrodes on arbitrary time scales t>ħ/Λg. Using previous results, namely, the Self-equilibration theorem proven in Ref. [20] the exact distribution functions P(N,t) for the probabilities of N electrons to tunnel through the contact by the time t are derived and plotted as 3D intensity graphs called real-time tunneling maps in a whole available region of Luttinger liquid correlation parameter values, bias voltages, and temperatures. The tunneling maps being obtained reveal tunneling anomalies - unusually high tunneling probabilities for the small numbers of electrons on the short-time scales beyond the steady state regime of electron tunnel transport. Especially, this concerns the case of strong short-range electron-electron interaction in the leads at g≲1/2. The effect being found can be treated as the direct consequence of the self-equilibration phenomenon. It is shown that features of such an anomalous electron tunneling beyond the steady state regime can be used for precise experimental measurements of small differences between Luttinger liquid correlation parameter values in different one-dimensional quantum-point contacts.

Importance of long-ranged electron-electron interactions for the magnetic phase diagram of twisted bilayer graphene

Electron-electron interactions are intrinsically long ranged, but many models of strongly interacting electrons only take short-ranged interactions into account. Here, we present results of atomistic calculations including both long-ranged and short-ranged electron-electron interactions for the magnetic phase diagram of twisted bilayer graphene and demonstrate that qualitatively different results are obtained when long-ranged interactions are neglected. In particular, we use Hartree theory augmented with Hubbard interactions and calculate the interacting spin susceptibility at a range of doping levels and twist angles near the magic angle to identify the dominant magnetic instabilities. At the magic angle, mostly anti-ferromagnetic order is found, while ferromagnetism dominates at other twist angles. Moreover, long-ranged interactions significantly increase the twist angle window in which strong correlation phenomena can be expected. These findings are in good agreement with available experimental data.

Branche d’excitation collective du continuum dans les gaz de fermions condensés par paires : étude analytique et lois d’échelle

The pair-condensed unpolarized spin-1/2 Fermi gases have a collective excitation branch in their pair-breaking continuum (V.A. Andrianov, V.N. Popov, 1976). We study it at zero temperature, with the eigenenergy equation deduced from the linearized time-dependent BCS theory and extended analytically to the lower half complex plane through its branch cut, calculating both the dispersion relation and the spectral weights (quasiparticle residues) of the branch. In the case of BCS superconductors, so called because the effect of the ion lattice is replaced by a short-range electron-electron interaction, we also include the Coulomb interaction and we restrict ourselves to the weak coupling limit Δ/μ→0 + (Δ is the order parameter, μ the chemical potential) and to wavenumbers q=O(1/ξ) where ξ is the size of a pair; when the complex energy z q is expressed in units of Δ and q in units of 1/ξ, the branch follows a universal law insensitive to the Coulomb interaction. In the case of cold atoms in the BEC-BCS crossover, only a contact interaction remains, but the coupling strength Δ/μ can take arbitrary values, and we study the branch at any wave number. At weak coupling, we predict three scales, that already mentioned q≈1/ξ, that q≈(Δ/μ) -1/3 /ξ where the real part of the dispersion relation has a minimum and that q≈(μ/Δ)/ξ≈k F (k F is the Fermi wave number) where the branch reaches the edge of its existence domain. Near the point where the chemical potential vanishes on the BCS side, μ/Δ→0 + , where ξ≈k F , we find two scales q≈(μ/Δ) 1/2 /ξ and q≈1/ξ. In all cases, the branch has a limit 2Δ and a quadratic start at q=0. These results were obtained for μ>0, where the eigenenergy equation admits at least two branching points ϵ a (q) and ϵ b (q) on the positive real axis, and for an analytic continuation through the interval [ϵ a (q),ϵ b (q)]. We find new continuum branches by performing the analytic continuation through [ϵ b (q),+∞[ or even, for q low enough, where there is a third real positive branching point ϵ c (q), through [ϵ b (q),ϵ c (q)] and [ϵ c (q),+∞[. On the BEC side μ<0 not previously studied, where there is only one real positive branching point ϵ a (q), we also find new collective excitation branches under the branch cut [ϵ a (q),+∞[. For μ>0, some of these new branches have a low-wavenumber exotic hypoacoustic z q ≈q 3/2 or hyperacoustic z q ≈q 4/5 behavior. For μ<0, we find a hyperacoustic branch and a nonhypoacoustic branch, with a limit 2Δ and a purely real quadratic start at q=0 for Δ/|μ|<0.222.

Rational boundary charge in one-dimensional systems with interaction and disorder

We study the boundary charge $Q_B$ of generic semi-infinite one-dimensional insulators with translational invariance and show that non-local symmetries (i.e., including translations) lead to rational quantizations $p/q$ of $Q_B$. In particular, we find that (up to an unknown integer) the quantization of $Q_B$ is given in integer units of $\frac{1}{2}\bar{\rho}$ and $\frac{1}{2}(\bar{\rho}-1)$, where $\bar{\rho}$ is the average charge per site (which is a rational number for an insulator). This is a direct generalization of the known half-integer quantization of $Q_B$ for systems with local inversion or local chiral symmetries to any rational value. Quite remarkably, this rational quantization remains valid even in the presence of short-ranged electron-electron interactions as well as static random disorder (breaking translational invariance). This striking stability can be traced back to the fact that local perturbations in insulators induce only local charge redistributions. We establish this result with complementary methods including density matrix renormalization group calculations, bosonization methods, and exact solutions for particular lattice models. Furthermore, for the special case of half-filling $\bar{\rho}=\frac{1}{2}$, we present explicit results in single-channel and nearest-neighbor hopping models and identify Weyl semimetal physics at gap closing points. Our general framework also allows us to shed new light on the well-known rational quantization of soliton charges at domain walls.

Interplay of Topology and Electron-Electron Interactions in Rarita-Schwinger-Weyl semimetals.

We study, for the first time, the effects of strong short-range electron-electron interactions in generic Rarita-Schwinger-Weyl semimetals hosting spin-3/2 electrons with linear dispersion at a fourfold band crossing point. The emergence of this novel quasiparticle, which is absent in high-energy physics, has recently been confirmed experimentally in the solid state. We combine symmetry considerations and a perturbative renormalization group analysis to discern three interacting phases that are prone to emerge in the strongly correlated regime: The chiral topological semimetal breaks a Z_{2} symmetry and features four Weyl nodes of monopole charge +1 located at vertices of a tetrahedron in momentum space. The s-wave superconducting state opens a Majorana mass gap for the fermions and is the leading superconducting instability. The Weyl semimetal phase removes the fourfold degeneracy and creates two Weyl nodes with either equal or opposite chirality depending on the anisotropy of the band structure. We find that symmetry breaking occurs at weaker coupling if the total monopole charge remains constant across the transition.

Range-separated double-hybrid density-functional theory with coupled-cluster and random-phase approximations.

We construct range-separated double-hybrid (RSDH) schemes which combine coupled-cluster or random-phase approximations (RPAs) with a density functional based on a two-parameter Coulomb-attenuating-method-like decomposition of the electron-electron interaction. We find that the addition of a fraction of short-range electron-electron interaction in the wave-function part of the calculation is globally beneficial for the RSDH scheme involving a variant of the RPA with exchange terms. Even though the latter scheme is globally as accurate as the corresponding scheme employing only second-order Møller-Plesset perturbation theory for atomization energies, reaction barrier heights, and weak intermolecular interactions of small molecules, it is more accurate for the more complicated case of the benzene dimer in the stacked configuration. The present RSDH scheme employing a RPA thus represents a new member in the family of double hybrids with minimal empiricism which could be useful for general chemical applications.

Defect induced Anderson localization and magnetization in graphene quantum dots

We theoretically investigate the effects of atomic defect related short-range disorders and electron-electron interactions on Anderson type localization and the magnetic properties of hexagonal armchair graphene quantum dots using an extended mean-field Hubbard model and wave packet dynamics for the calculation of localization lengths. We observe that randomly distributed defects with concentrations between 1 and 5% of the total number of atoms leads to localization alongside magnetic puddle-like structures. Although the localization lengths are not affected by interactions, staggered magnetism and localization are found to be enhanced if the defects are distributed unevenly between the sublattices of the honeycomb lattice.

Interaction effects in a multi-channel Fabry-Pérot interferometer in the Aharonov-Bohm regime

We investigate a Fabry-Pérot interferometer in the integer Hall regime in which only one edge channel is transmitted and nn channels are trapped into the interferometer loop. Addressing recent experimental observations, we assume that Coulomb blockade effects are completely suppressed due to screening, while keeping track of a residual strong short range electron-electron interaction between the co-propagating edge channels trapped into the interferometer loop. This kind of interaction can be completely described in the framework of the edge-magnetoplasmon scattering matrix theory allowing us to evaluate the backscattering current and the associated differential conductance as a function of the bias voltage. The remarkable features of these quantities are discussed as a function of the number of trapped channels. The developed formalism reveals very general and provides also a simple way to model the experimentally relevant geometry in which some of the trapped channels are absorbed into an Ohmic contact, leading to energy dissipation.

Nature of the magnetic phase transition in a Weyl semimetal

We investigate the nature of the magnetic phase transition induced by the short-ranged electron-electron interactions in a Weyl semimetal by using the perturbative renormalization-group method. We find that the critical point associated with the quantum phase transition is characterized by a Gaussian fixed point perturbed by a dangerously irrelevant operator. Although the low-energy and long-distance physics is governed by a free theory, the velocities of the fermionic quasiparticles and the magnetic excitations suffer from nontrivial renormalization effects. In particular, their ratio approaches one, which indicates an emergent Lorentz symmetry at low energies. We further investigate the stability of the fixed point in the presence of weak disorder. We show that while the fixed point is generally stable against weak disorder, among those disorders that are consistent with the emergent chiral symmetry of the clean system, a moderately strong random chemical potential and/or random vector potential may induce a quantum phase transition towards a disorder-dominated phase. We propose a global phase diagram of the Weyl semimetal in the presence of both electron-electron interactions and disorder based on our results.

Quantum phases of interacting electrons in three-dimensional dirty Dirac semimetals

We theoretically study the stability of three dimensional Dirac semimetals against short-range electron-electron interaction and quenched time-reversal symmetric disorder (but excluding mass disorder). First we focus on the clean interacting and the noninteracting dirty Dirac semimetal separately, and show that they support two distinct quantum critical points. Using renormalization group techniques, we find that while interaction driven quantum critical points are \emph{Gaussian} (mean-field) in nature, describing quantum phase transitions into various broken symmetry phases, the ones controlled by disorder are \emph{non-Gaussian}, capturing the transition to a metallic phase. We classify such diffusive quantum critical points based on the transformation of disorder vertices under a \emph{continuous} chiral rotation. Our wek coupling renormalization group analysis suggests that two distinct quantum critical points are stable in an interacting dirty Dirac semimetal (with chiral symmetric randomness), and a multicritical point (at finite interaction and disorder) results from their interplay. By contrast, the chiral symmetry breaking disorder driven critical point is unstable against weak interactions. Effects of weak disorder on the ordering tendencies in Dirac semimetal are analyzed. The clean interacting critical points, however, satisfy the \emph{Harris criterion}, and are therefore expected to be unstable against bond disorder. Although our weak coupling analysis is inadequate to establish the ultimate stability of these fixed points in the strong coupling regime (when both interaction and disorder are strong), they can still govern crossover behaviors in Dirac semimetals over a large length scale, when either interaction or randomness is sufficiently weak.

Strong correlation effects on topological quantum phase transitions in three dimensions

We investigate the role of short-ranged electron-electron interactions in a paradigmatic model of three dimensional topological insulators, using dynamical mean-field theory and focusing on non magnetically ordered solutions. The non-interacting band-structure is controlled by a mass term M, whose value discriminates between three different insulating phases, a trivial band insulator and two distinct topologically non-trivial phases. We characterize the evolution of the transitions between the different phases as a function of the local Coulomb repulsion U and find a remarkable dependence of the U -M phase diagram on the value of the local Hund's exchange coupling J. However, regardless the value of J, following the evolution of the topological transition line between a trivial band insulator and a topological insulator, we find a critical value of U separating a continuous transition from a first-order one. When the Hund's coupling is significant, a Mott insulator is stabilized at large U . In proximity of the Mott transition we observe the emergence of an anomalous "Mott-like" strong topological insulating state.

Thermoelectric transport in double-Weyl semimetals

We study the thermoelectric properties of a double-Weyl fermion system, possibly realized in $\mathrm{HgCr_2Se_4}$ and $\mathrm{SrSi_2}$, by a semi-classical Boltzmann transport theory. We investigate different relaxation processes including short-range disorder and electron-electron interaction on the thermoelectric transport coefficients. It is found that the anisotropy of the band dispersion for in-plane and out-of-plane momentum directions affects the relaxation time for transport in different directions. The transport also exhibits an interesting directional dependence on the chemical potential and model parameters, differing from a simple isotropic quadratic or linearly dispersing electron gas. By applying a static magnetic field along the linearly dispersing direction, the longitudinal and transverse electrical and thermal magnetoconductivity show a similar dependence on the in-plane cyclotron frequency to the linear dispersing Weyl nodes. By including internode scattering, we find that the chiral anomaly contribution to the thermoelectric coefficients doubles that of a linearly dispersing Weyl node in both the semi-classical and quantum regimes. A magnetic field applied along the quadratically dispersing direction will split the double Weyl point into two single Weyl points with the same chirality.

Effects of short-range electron-electron interactions in doped graphene

We study theoretically the effects of short-range electron-electron interactions on the electronic structure of graphene, in the presence of single substitutional impurities. Our computational approach is based on the $\pi$ orbital tight-binding approximation for graphene, with the electron-electron interactions treated self-consistently at the level of the mean-field Hubbard model. We compare explicitly non-interacting and interacting cases with varying interaction strength and impurity potential strength. We focus in particular on the interaction-induced modifications in the local density of states around the impurity, which is a quantity that can be directly probed by scanning tunneling spectroscopy of doped graphene. We find that the resonant character of the impurity states near the Fermi level is enhanced by the interactions. Furthermore, the size of the energy gap, which opens at high-symmetry points of the Brillouin zone of the supercell upon doping, is significantly affected by the interactions. The details of this effect depend subtly on the supercell geometry. We use a perturbative model to explain these features and find quantitative agreement with numerical results.

Range-separated double-hybrid density-functional theory applied to periodic systems.

Quantum chemistry methods exploiting density-functional approximations for short-range electron-electron interactions and second-order Møller-Plesset (MP2) perturbation theory for long-range electron-electron interactions have been implemented for periodic systems using Gaussian-type basis functions and the local correlation framework. The performance of these range-separated double hybrids has been benchmarked on a significant set of systems including rare-gas, molecular, ionic, and covalent crystals. The use of spin-component-scaled MP2 for the long-range part has been tested as well. The results show that the value of μ = 0.5 bohr(-1) for the range-separation parameter usually used for molecular systems is also a reasonable choice for solids. Overall, these range-separated double hybrids provide a good accuracy for binding energies using basis sets of moderate sizes such as cc-pVDZ and aug-cc-pVDZ.

Hydrogen storage on platinum decorated graphene: A first-principles study

Adsorption of gaseous/molecular hydrogen on platinum (Pt) decorated and pristine graphene have been studied systematically by using density functional theory (DFT) level of calculations implemented by Quantum ESPRESSO codes. The Perdew-Burke-Ernzerhof (PBE) type generalized gradient approximation (GGA) exchange-correlation functional and London dispersion forces have been incorporated in the DFT-D2 level of algorithm for short and long range electron-electron interactions, respectively. With reference to the binding energy of Pt on different symmetry sites of graphene supercells, the bridge (B) site has been predicted as the best adsorption site. In case of 3×3 supercell of graphene (used for detail calculations), the binding energy has been estimated as 2.02 eV. The band structure and density of states calculations of Pt adatom graphene predict changes in electronic/magnetic properties caused by the atom (Pt). The adatom (Pt) also enhances the binding energy per hydrogen molecule in Pt-graphene comparing to that in pristine graphene and records the values within the range of 1.84 eV to 0.13 eV for one to eight molecules, respectively. DOI: http://dx.doi.org/10.3126/bibechana.v11i0.10389 BIBECHANA 11(1) (2014) 113-122

Calculation of electronic excited states of molecules using the Helmholtz free-energy minimum principle

We show that the Helmholtz free-energy variational principle is the physical principle underlying the ensemble variational theory formulated in seminal papers by Theophilou and by Gross, Oliveira, and Kohn. A method of calculating electronic excitations of atoms and molecules is then proposed, based on the constrained minimization of the free energy. It involves the search for the optimal set of Slater determinant states to describe low electronic excitations and, in a second step, the search for optimal rotations in the space spanned by these states. Boltzmann factors are used as weights of states in the ensemble since for these the free energy achieves a minimum. The proposed method is applied to the Be atom and LiH and BH molecules. The method captures static electron correlation but naturally lacks dynamic correlation. To account for the latter, we describe short-range electron-electron interaction with a density functional, while the long-range part is still expressed by a wave-function method. Using the example of the LiH molecule, we find that the resulting method is able to capture both static and dynamic electron correlations.

Phase diagram for theν=0quantum Hall state in monolayer graphene

The $\ensuremath{\nu}=0$ quantum Hall state in a defect-free graphene sample is studied within the framework of quantum Hall ferromagnetism. We perform a systematic analysis of the ``isospin'' anisotropies, which arise from the valley and sublattice asymmetric short-range electron-electron (e-e) and electron-phonon (e-ph) interactions. The phase diagram, obtained in the presence of generic isospin anisotropy and the Zeeman effect, consists of four phases characterized by the following orders: spin-polarized ferromagnetic, canted antiferromagnetic, charge density wave, and Kekul\'e distortion. We take into account the Landau level mixing effects and show that they result in the key renormalizations of parameters. First, the absolute values of the anisotropy energies become greatly enhanced and can significantly exceed the Zeeman energy. Second, the signs of the anisotropy energies due to e-e interactions can change upon renormalization. A crucial consequence of the latter is that the short-range e-e interactions alone could favor any state on the phase diagram, depending on the details of interactions at the lattice scale. On the other hand, the leading e-ph interactions always favor the Kekul\'e distortion order. The possibility of inducing phase transitions by tilting the magnetic field is discussed.

An atlas of carbon nanotube optical transitions

Electron-electron interactions are significantly enhanced in one-dimensional systems, and single-walled carbon nanotubes provide a unique opportunity for studying such interactions and the related many-body effects in one dimension. However, single-walled nanotubes can have a wide range of diameters and hundreds of different structures, each defined by its chiral index (n,m), where n and m are integers that can have values from zero up to 30 or more. Moreover, one-third of these structures are metals and two-thirds are semiconductors, and they display optical resonances at many different frequencies. Systematic studies of many-body effects in nanotubes would therefore benefit from the availability of a technique for identifying the chiral index of a nanotube based on a measurement of its optical resonances, and vice versa. Here, we report the establishment of a structure-property 'atlas' for nanotube optical transitions based on simultaneous electron diffraction measurements of the chiral index and Rayleigh scattering measurements of the optical resonances of 206 different single-walled nanotube structures. The nanotubes, which were suspended across open slit structures on silicon substrates, had diameters in the range 1.3-4.7nm. We also use this atlas as a starting point for a systematic study of many-body effects in the excited states of single-walled nanotubes. We find that electron-electron interactions shift the optical resonance energies by the same amount for both metallic and semiconducting nanotubes, and that this shift (which corresponds to an effective Fermi velocity renormalization) increases monotonically with nanotube diameter. This behaviour arises from two sources: an intriguing cancellation of long-range electron-electron interaction effects, and the dependence of short-range electron-electron interactions on diameter.

Electronic liquid crystalline phases in a spin-orbit coupled two-dimensional electron gas

We argue that the ground state of a two-dimensional electron gas with Rashba spin-orbit coupling realizes one of several possible liquid crystalline or Wigner crystalline phases in the low-density limit, even for short-range repulsive electron-electron interactions (which decay with distance with a power larger than 2). Depending on specifics of the interactions, preferred ground-states include an anisotropic Wigner crystal with an increasingly anisotropic unit cell as the density decreases, a striped or electron smectic phase, and a ferromagnetic phase which strongly breaks the lattice point-group symmetry, i.e. exhibits nematic order. Melting of the anisotropic Wigner crystal or the smectic phase by thermal or quantum fluctuations can gives rise to a non-magnetic nematic phase which preserves time-reversal symmetry.

Coulomb-tail effect of electron-electron interaction on nonsequential double ionization

With the classical ensemble model, we investigate the manifestations of the Coulomb tail of electron-electron interaction in nonsequential double ionization by comparing the results from the short-range electron-electron interaction with those from the Coulombic electron-electron interaction. At the intensity below the recollision threshold, the two-electron momentum distributions in the direction parallel to the laser polarization show an anticorrelated behavior for the Coulombic electron-electron interaction while a correlated behavior for the short-range interaction, which indicates the responsibility of the Coulomb tail of the electron-electron interaction for the experimentally observed anticorrelated emission [Y. Liu, S. Tschuch, A. Rudenko, M. Durr, M. Siegel, U. Morgner, R. Moshammer, and J. Ullrich, Phys. Rev. Lett. 101, 053001 (2008)]. In the transverse direction, for the Coulombic electron-electron interaction, the two electrons exhibit no effect of repulsion at an intensity below the recollision threshold while a strong repulsion effect at an intensity above the threshold, which becomes weaker as the laser intensity further increases. Back analysis shows that the role of the Coulomb tail of electron-electron interaction leads asymmetric energy sharing (AES) to be prevalent at recollision. This AES results in the two electrons leaving the ion at different times or with different initial momenta, which is responsible for the anticorrelated behavior in the parallel direction and the intensity-dependent repulsion effect in the transverse direction.