Search

The interaction of electrons with quantized phonons and photons underlies the ultrafast dynamics of systems ranging from molecules to solids, giving rise to a plethora of physical phenomena experimentally accessible using time-resolved techniques. Green's function methods offer an invaluable interpretation tool since scattering mechanisms of growing complexity can be selectively incorporated in the theory. cheers is a general-purpose nonequilibrium Green's function code that implements virtually all known many-body approximations and is designed for first principles studies of ultrafast processes in molecular and model solid state systems. The aims of generality, extensibility, efficiency, and user friendliness of the code are achieved through the underlying theory development and the use of modern software design practices. Here, we motivate the necessity for the creation of such a code and overview its design and capabilities., Comment: 15 pages, 4 figures

We present a time-linear scaling method to simulate open and correlated quantum systems out of equilibrium. The method inherits from many-body perturbation theory the possibility to choose selectively the most relevant scattering processes in the dynamics, thereby paving the way to the real-time characterization of correlated ultrafast phenomena in quantum transport. The open system dynamics is described in terms of an embedding correlator from which the time-dependent current can be calculated using the Meir-Wingreen formula. We show how to efficiently implement our approach through a simple grafting into recently proposed time-linear Green's function methods for closed systems. Electron-electron and electron-phonon interactions can be treated on equal footing while preserving all fundametal conservation laws., Comment: 6 pages and 3 figures in the main text, 4 pages and 2 figures in the supplemental material

We demonstrate the feasibility of the time-linear scaling formulation of the $GW$ method [Phys. Rev. Lett. {\bf 124}, 076601 (2020)] for {\it ab initio} simulations of optically driven two-dimensional materials. The time-dependent $GW$ equations are derived and solved numerically in the basis of Bloch states. We address carrier multiplication and relaxation in photo-excited graphene and find deviations from the typical exponential behavior predicted by the Markovian Boltzmann approach. For resonantly pumped semiconductor we discover a self-sustained screening cascade leading to the Mott transition of coherent excitons. Our results draw attention to the importance of non-Markovian and dynamical screening effects in out-of-equilibrium phenomena., Comment: 6 pages, 4 figures

We calculate the {\em exact} time-resolved ARPES spectrum of a two-band model semiconductor driven out of equilibrium by resonant and nonresonant laser pulses, highlighting the effects of phonon-induced decoherence and relaxation. {\em Resonant} excitations initially yield a replica of the {\em valence} band shifted upward by the energy of the exciton peak in photoabsorption. This phase is eventually destroyed by phonon-induced decoherence: the valence-band replica lowers in energy by the Stokes shift, locating at the energy of the exciton peak in photoluminescence, and its width grows due to phonon dressing. {\em Nonresonant} excitations initially yield a map of the conduction band. Then electrons transfer their excess energy to the lattice and bind with the holes left behind to form excitons. In this relaxed regime a replica of the {\em conduction} band appears inside the gap. At fixed momentum the lineshape of the conduction-band replica versus the photoelectron energy is proportional to the exciton wavefunction in "energy space" and it is highly asymmetric. Although the two-band model represents an oversimplified description of real materials the highlighted features are qualitative in nature; hence they provide useful insights into time-resolved ARPES spectra and their physical interpretation., Comment: 14 pages, 3 figures

We study the screened dynamics of the nonequilibrium excitonic consensate forming in a bulk WSe$_{2}$ when illuminated by coherent light resonant with the lowest-energy exciton. Intervalley scattering causes electron migration from the optically populated K valley to the conduction band minimum at $\Sigma$. Due to the electron-hole unbalance at the K point a plasma of quasi-free holes develops, which efficiently screens the interaction of the remaining excitons. We show that this plasma screening causes an ultrafast melting of the nonequilibrium consensate and that during melting coherent excitons and quasi-free electron-hole pairs coexist. The time-resolved spectral function does exhibit a conduction and excitonic sidebands of opposite convexity and relative spectral weight that changes in time. Both the dependence of the time-dependent conduction density on the laser intensity and the time-resolved spectral function agree with recent experiments., Comment: 10 pages, 9 figures

The nonequilibrium excitonic insulator (NEQ-EI) is an excited state of matter characterized by a finite density of coherent excitons and a time-dependent macroscopic polarization. The stability of this exciton superfluid as the density grows is jeopardized by the increased screening efficiency of the looser excitons. In this work we put forward a Hartree plus Screened Exchange HSEX scheme to predict the critical density at which the transition toward a free electron-hole plasma occurs. The dielectric function is calculated self-consistently using the NEQ-EI polarization and found to vanish in the long-wavelength limit. This property makes the exciton superfluid stable up to relatively high densities. Numerical results for the MoS$_{2}$ monolayers indicate that the NEQ-EI phase survives up to densities of the order of $10^{12}\mathrm{cm}^{-2}$., Comment: 8 pages, 4 figures

The nontrivial topology of {\it p}-wave superfluids make these systems attractive candidate in information technology. In this work we report on the topological state of a {\it p}-wave nonequilibrium excitonic insulator (NEQ-EI) and show how to steer a nontopological band-insulator with bright $p$-excitons toward this state by a suitable laser pulse, thus achieving a dynamical topological phase transition. The underlying mechanism behind the transition is the broken gauge-symmetry of the NEQ-EI which causes self-sustained persistent oscillations of the excitonic condensate and hence a Floquet topological state for high enough exciton densities. We show the formation of Floquet Majorana modes at the boundaries of the open system and discuss topological spectral signatures for ARPES experiments. We emphasize that the topological properties of a {\it p}-wave NEQ-EI arise exclusively from the electron-hole Coulomb interaction as the system is not driven by external fields., Comment: 4+2 pages, 5 figures

We consider a ground-state wide-gap band insulator turning into a nonequilibrium excitonic insulator (NEQ-EI) upon visiting properly selected and physically relevant highly excited states. The NEQ-EI phase, characterized by self-sustained oscillations of the complex order parameter, neatly follows from a Nonequilibrium Green's Function treatment on the Konstantinov-Perel' contour. We present the first {\em ab initio} band structure of LiF, a ground-state bulk insulator, in different NEQ-EI states and show that these states can be generated by currently available pump pulses. We highlight two general features of time-resolved ARPES spectra: (1) during the pump-driving the excitonic spectral structure undergoes a convex-to-concave shape transition and {\em concomitantly} the state of the system goes through a BEC-BCS crossover; (2) attosecond pulses shone after the pump-driving at different times $t_{\rm delay}$ generate a photocurrent which {\em oscillates} in $t_{\rm delay}$ with a pump-tunable frequency -- we show that this phenomenon is similar to the AC response of an exotic Josephson junction., Comment: 13 pages, 9 figures

We describe an algorithm to efficiently compute the second-Born self-energy of many-body perurbation theory. The core idea consists in dissecting the set of all four-index Coulomb integrals into properly chosen subsets, thus avoiding to loop over those indices for which the Coulomb integrals are zero or negligible. The scaling properties of the algorithm with the number of basis functions is discussed. The computational gain is demonstrated in the case of one-particle Kohn-Sham basis for organic molecules., Comment: 6 pages, contribution to the proceedings of the workshop "Progress in Nonequilibrium Green's Function VII"

We put forward a practical nonequilibrium Green's function (NEGF) scheme to perform real-time evolutions of many-body interacting systems driven out of equilibrium by external fields. CHEERS is a computational tool to solve the NEGF equation of motion in the so called generalized Kadanoff-Baym ansatz and it can be used for model systems as well as first-principles Hamiltonians. Dynamical correlation (or memory) effects are added to the Hartree-Fock dynamics through a many-body self-energy. Applications to time-dependent quantum transport, time-resolved photoabsorption and other ultrafast phenomena are discussed., Comment: 15 pages, 6 figures, to be published, J. Phys.: Condens. Matter (2018)

We have recently proposed a Nonequilibrium Green's Function (NEGF) approach to include Auger decay processes in the ultrafast charge dynamics of photoionized molecules. Within the so called Generalized Kadanoff-Baym Ansatz the fundamental unknowns of the NEGF equations are the reduced one-particle density matrix of bound electrons and the occupations of the continuum states. Both unknowns are one-time functions like the density in Time-Dependent Functional Theory (TDDFT). In this work we assess the accuracy of the approach against Configuration Interaction (CI) calculations in one-dimensional model systems. Our results show that NEGF correctly captures qualitative and quantitative features of the relaxation dynamics provided that the energy of the Auger electron is much larger than the Coulomb repulsion between two holes in the valence shells. For the accuracy of the results dynamical electron-electron correlations or, equivalently, memory effects play a pivotal role. The combination of our NEGF approach with the Sham-Schl\"uter equation may provide useful insights for the development of TDDFT exchange-correlation potentials with a history dependence., Comment: 7 pages, 3 figures

The Auger decay is a relevant recombination channel during the first few femtoseconds of molecular targets impinged by attosecond XUV or soft X-ray pulses. Including this mechanism in time--dependent simulations of charge--migration processes is a difficult task, and Auger scatterings are often ignored altogether. In this work we present an advance of the current state-of-the-art by putting forward a real--time approach based on nonequilibrium Green's functions suitable for first-principles calculations of molecules with tens of active electrons. To demonstrate the accuracy of the method we report comparisons against accurate grid simulations of one-dimensional systems. We also predict a highly asymmetric profile of the Auger wavepacket, with a long tail exhibiting ripples temporally spaced by the inverse of the Auger energy., Comment: 11 pages, 7 figures

The early stage density oscillations of the electronic charge in molecules irradiated by an attosecond XUV pulse takes place on femto- or subfemtosecond timescales. This ultrafast charge migration process is a central topic in attoscience as it dictates the relaxation pathways of the molecular structure. A predictive quantum theory of ultrafast charge migration should incorporate the atomistic details of the molecule, electronic correlations and the multitude of ionization channels activated by the broad-bandwidth XUV pulse. In this work we propose a first-principles Non Equilibrium Green's Function method fulfilling all three requirements, and apply it to a recent experiment on the photoexcited phenylalanine aminoacid. Our results show that dynamical correlations are necessary for a quantitative overall agreement with the experimental data. In particular, we are able to capture the transient oscillations at frequencies 0.15PHz and 0.30PHz in the hole density of the amine group, as well as their suppression and the concomitant development of a new oscillation at frequency 0.25PHz after about 14 femtoseconds., Comment: 7 pages, 5 figures

We use the Nonequilibrium Green's Function (NEGF) method to perform real-time simulations of the ultrafast electron dynamics of photoexcited donor-C60 complexes modeled by a Pariser-Parr-Pople Hamiltonian. The NEGF results are compared to mean-field Hartree-Fock (HF) calculations to disentangle the role of correlations. Initial benchmarking against numerically highly accurate time-dependent Density Matrix Renormalization Group calculations verifies the accuracy of NEGF. We then find that charge-transfer (CT) excitons partially decay into charge separated (CS) states if dynamical non-local correlation corrections are included. This CS process occurs in ~10 fs after photoexcitation. In contrast, the probability of exciton recombination is almost 100% in HF simulations. These results are largely unaffected by nuclear vibrations; the latter become however essential whenever level misalignment hinders the CT process. The robust nature of our findings indicate that ultrafast CS driven by correlation-induced decoherence may occur in many organic nanoscale systems, but it will only be correctly predicted by theoretical treatments that include time-nonlocal correlations., Comment: 9 pages, 6 figures + supplemental information (4 pages)

We show that any {\em quasi-particle} or GW approximation to the self-energy does not capture excitonic features in time-resolved (TR) photoemission spectroscopy. In this work we put forward a first-principles approach and propose a feasible diagrammatic approximation to solve this problem. We also derive an alternative formula for the TR photocurrent which involves a single time-integral of the lesser Green's function. The diagrammatic approximation applies to the {\em relaxed} regime characterized by the presence of quasi-stationary excitons and vanishing polarization. The main distinctive feature of the theory is that the diagrams must be evaluated using {\em excited} Green's functions. As this is not standard the analytic derivation is presented in detail. The final result is an expression for the lesser Green's function in terms of quantities that can all be calculated {\em ab initio}. The validity of the proposed theory is illustrated in a one-dimensional model system with a direct gap. We discuss possible scenarios and highlight some universal features of the exciton peaks. Our results indicate that the exciton dispersion can be observed in TR {\em and} angle-resolved photoemission., Comment: 15 pages, 8 figures

We put forward a first-principle NonEquilibrium Green's Function (NEGF) approach to calculate the transient photoabsorption spectrum of optically thin samples. The method can deal with pump fields of arbitrary strength, frequency and duration as well as for overlapping and nonoverlapping pump and probe pulses. The electron-electron repulsion is accounted for by the correlation self-energy, and the resulting numerical scheme deals with matrices that scale quadratically with the system size. Two recent experiments, the first on helium and the second on krypton, are addressed. For the first experiment we explain the bending of the Autler-Townes absorption peaks with increasing the pump-probe delay $\t$, and relate the bending to the thickness and density of the gas. For the second experiment we find that sizable spectral structures of the pump-generated admixture of Kr ions are fingerprints of {\em dynamical correlation} effects, and hence they cannot be reproduced by time-local self-energy approximations. Remarkably, the NEGF approach also captures the retardation of the absorption onset of Kr$^{2+}$ with respect to Kr$^{1+}$ as a function of $\t$., Comment: 13 pages, 8 captioned figures

In this work we propose an accurate first-principle approach to calculate the transient photo--absorption spectrum measured in Pump\&\,Probe experiments. We formulate a condition of {\em adiabaticity} and thoroughly analyze the simplifications brought about by the fulfillment of this condition in the non--equilibrium Green's function (NEGF) framework. Starting from the Kadanoff-Baym equations we derive a non--equilibrium Bethe--Salpeter equation (BSE) for the response function that can be implemented in most of the already existing {\em ab--initio} codes. In addition, the {\em adiabatic} approximation is benchmarked against full NEGF simulations in simple model hamiltonians, even under extreme, nonadiabatic conditions where it is expected to fail. We find that the non--equilibrium BSE is very robust and captures important spectral features in a wide range of experimental configurations., Comment: 13 pages, 5 captioned figures

The physical interpretation of time-resolved photoabsorption experiments is not as straightforward as for the more conventional photoabsorption experiments conducted on equilibrium systems. In fact, the relation between the transient photoabsorption spectrum and the properties of the examined sample can be rather intricate since the former is a complicated functional of both the driving pump and the feeble probe fields. In this work we critically review the derivation of the time-resolved photoabsorption spectrum in terms of the nonequilibrium dipole response function $\chi$ and assess its domain of validity. We then analyze $\chi$ in detail and discuss a few exact properties useful to interpret the transient spectrum {\em during} (overlapping regime) and {\em after} (nonoverlapping regime) the action of the pump. The nonoverlapping regime is the simplest to address. The absorption energies are indeed independent of the delay between the pump and probe pulses and hence the transient spectrum can change only by a rearrangement of the spectral weights. We give a close expression of these spectral weights in two limiting cases (ultrashort and everlasting monochromatic probes) and highlight their strong dependence on coherence and probe-envelope. In the overlapping regime we obtain a Lehmann-like representation of $\chi$ in terms of light-dressed states and provide a unifying framework of various well known effects in pump-driven systems. We also show the emergence of spectral sub-structures due to the finite duration of the pump pulse., Comment: 17 pages, 8 figures

We study the combined effects of electron-phonon coupling and dot-lead repulsion in the transport properties of the Anderson-Holstein model. We employ a recently proposed nonperturbative method to calculate the transient response of the system. By varying the initial conditions for the time propagation the current exhibits transient oscillations of different nature. We are able to disentangle two dynamical processes, namely the local charge rearrangement due to the dot-lead contacting and the establishment of the nonequilbrium many-body state due to the application of the external bias. These processes involve either Franck-Condon excitations or transitions between the resonant level and the Fermi energy of the leads., Comment: 6 pages, 6 figures

The recent observation of charge fractionalization in single Tomanga-Luttinger liquids (TLLs) [Kamata et al., Nature Nanotech., 9 177 (2014)] opens new routes for a systematic investigation of this exotic quantum phenomenon. In this Letter we perform measurements on two adjacent TLLs and put forward an accurate theoretical framework to address the experiments. The theory is based on the plasmon scattering approach and can deal with injected charge pulses of arbitrary shape in TLL regions. We accurately reproduce and interpret the time-resolved multiple fractionalization events in both single and double TLLs. The effect of inter-correlations between the two TLLs is also discussed., Comment: 5 pages + Supplementary Material. To appear in Phys. Rev. B: Rapid. Comm

Real-time Green's function simulations of molecular junctions (open quantum systems) are typically performed by solving the Kadanoff-Baym equations (KBE). The KBE, however, impose a serious limitation on the maximum propagation time due to the large memory storage needed. In this work we propose a simplified Green's function approach based on the Generalized Kadanoff-Baym Ansatz (GKBA) to overcome the KBE limitation on time, significantly speed up the calculations, and yet stay close to the KBE results. This is achieved through a twofold advance: first we show how to make the GKBA work in open systems and then construct a suitable quasi-particle propagator that includes correlation effects in a diagrammatic fashion. We also provide evidence that our GKBA scheme, although already in good agreement with the KBE approach, can be further improved without increasing the computational cost., Comment: 13 pages, 13 figures

Screening effects in nanoscale junctions with strong electron-phonon coupling open new physical scenarios. We propose an accurate many-body approach to deal with the simultaneous occurrence of the Franck-Condon blockade and the screening-induced enhancement of the polaron mobility. We derive a transparent analytic expression for the electrical current: transient and steady-state features are directly interpreted and explained. Moreover, the interplay between phononic and electronic excitations gives rise to a novel mechanism of negative differential conductance. Experimental setup to observe this phenomenon are discussed., Comment: 5 pages, 5 figures

We show that the energy functional of ensemble Density Functional Theory (DFT) [Perdew et al., Phys. Rev. Lett. 49, 1691 (1982)] in systems with attractive interactions is a convex function of the fractional particle number N and is given by a series of straight lines joining a subset of ground-state energies. As a consequence the exchange-correlation (XC) potential is not discontinuous for all N. We highlight the importance of this exact result in the ensemble-DFT description of the negative-U Anderson model. In the atomic limit the discontinuity of the XC potential is missing for odd N while for finite hybridizations the discontinuity at even N is broadened. We demonstrate that the inclusion of these properties in any approximate XC potential is crucial to reproduce the characteristic signatures of the charge-Kondo effect in the conductance and charge susceptibility., Comment: 5 pages, 5 eps figure. Phys. Rev. B 86, 081409(R) (2012)

Controlling the dynamics of Majorana fermions (MF) subject to time-varying driving fields is of fundamental importance for the practical realization of topological quantum computing. In this work we study how it is possible to dynamically generate and maintain the topological phase in one-dimensional superconducting nanowires after the temporal variation of the Hamiltonian parameters. Remarkably we show that for a sudden quench the system can never relax towards a state exhibiting fully developed MF, independently of the initial and final Hamiltonians. Only for sufficiently slow protocols the system behaves adiabatically, and the topological phase can be reached. Finally we address the crucial question of how "adiabatic" a protocol must be in order to manipulate the MF inside the topological phase without deteriorating their Majorana character., Comment: 5 pages, 4 eps figures

In this work we discuss the combined effects of finite-range electron-electron interaction and finite-range tunneling on the transport properties of ultrasmall tunnel junctions. We show that the Coulomb blockade phenomenon is deeply influenced by the interplay between the geometry and the screening properties of the contacts. In particular if the interaction range is smaller than the size of the tunneling region a "weakly correlated" regime emerges in which the Coulomb blockade gap $\D$ is significantly reduced. In this regime $\D$ is not simply given by the conventional charging energy of the junction, since it is strongly renormalized by the energy that electrons need to tunnel over the extended contact., Comment: 7 pages, 5 figures. To appear in Phys. Rev. B

The effects of long-range interactions in quantum transport are still largely unexplored, mainly due to the difficulty of devising efficient embedding schemes. In this work we present a substantial progress in the interacting resonant level model by reducing the problem to the solution of Kadanoff-Baym-like equations with a correlated embedding self-energy. The method allows us to deal with short- and long-range interactions and is applicable from the transient to the steady-state regime. Furthermore, memory effects are consistently incorporated and the results are not plagued by negative densities or non-conservation of the electric charge. We employ the method to calculate densities and currents with long-range interactions appropriate to low-dimensional leads, and show the occurrence of a jamming effect which drastically reduces the screening time and suppresses the zero-bias conductance. None of these effects are captured by short-range dot-lead interactions., Comment: 5 pages, 4 figures

We present a comprehensive analysis of the relaxation dynamics of a Luttinger liquid subject to a sequence of sudden interaction quenches. We express the critical exponent $\beta$ governing the decay of the steady-state propagator as an explicit functional of the switching protocol. At long distances $\beta$ depends only on the initial state while at short distances it is also history dependent. Continuous protocols of arbitrary complexity can be realized with infinitely long sequences. For quenches of finite duration we prove that there exist no protocol to bring the initial non-interacting system in the ground state of the Luttinger liquid. Nevertheless memory effects are washed out at short-distances. The adiabatic theorem is then investigated with ramp-switchings of increasing duration, and several analytic results for both the propagator and the excitation energy are derived., Comment: 7 pages, 4 figures

We demonstrate the remnant presence of {\em initial} correlations in the {\em steady-state} electrical current flowing between low-dimensional interacting leads. The leads are described as Luttinger liquids and electrons can tunnel via a quantum point-contact. We derive an analytic result for the time-dependent current and show that ground-state correlations have a large impact on the relaxation and long-time behavior. In particular, the I-V characteristic cannot be reproduced by quenching the interaction in time. We further present a universal formula of the steady-state current $j_{S}$ for an arbitrary sequence of interaction quenches. It is established that $j_{S}$ is history dependent provided that the switching process is non-smooth., Comment: To appear in Phys. Rev. Lett

We theoretically investigate the time-dependent ballistic transport in metallic graphene nanoribbons after the sudden switch-on of a bias voltage $V$. The ribbon is divided in three different regions, namely two semi-infinite graphenic leads and a central part of length $L$, across which the bias drops linearly and where the current is calculated. We show that during the early transient time the system behaves like a graphene bulk under the influence of a uniform electric field $E=V/L$. In the undoped system the current does not grow linearly in time but remarkably reaches a temporary plateau with dc conductivity $\sigma_{1}=\pi e^{2}/2h$, which coincides with the minimal conductivity of two-dimensional graphene. After a time of order $L/v_{F}$ ($v_{F}$ being the Fermi velocity) the current departs from the first plateau and saturates at its final steady state value with conductivity $\sigma_{2}=2e^{2}/h$ typical of metallic nanoribbons of finite width., Comment: 5 pages, 5 figures

We propose an ab initio method to evaluate the core-valence-valence (CVV) Auger spectrum of systems with filled valence bands. The method is based on the Cini-Sawatzky theory, and aims at estimating the parameters by first-principles calculations in the framework of density-functional theory (DFT). Photoemission energies and the interaction energy for the two holes in the final state are evaluated by performing DFT simulations for the system with varied population of electronic levels. Transition matrix elements are taken from atomic results. The approach takes into account the non-sphericity of the density of states of the emitting atom, spin-orbit interaction in core and valence, and non quadratic terms in the total energy expansion with respect to fractional occupation numbers. It is tested on two benchmark systems, Zn and Cu metals, leading in both cases to L23M45M45 Auger peaks within 2 eV from the experimental ones. Detailed analysis is presented on the relative weight of the various contributions considered in our method, providing the basis for future development. Especially problematic is the evaluation of the hole-hole interaction for systems with broad valence bands: our method underestimates its value in Cu, while we obtain excellent results for this quantity in Zn., Comment: 20 pages, 5 figures, 4 tables

We address the question of how small can the quasiparticle decay rate be at low energies in undoped graphene, where kinematical constraints are known to prevent the decay into particle-hole excitations. For this purpose, we study the renormalization of the phonon dispersion by many-body effects, which turns out to be very strong in the case of the out-of-plane phonons at the K point of the spectrum. We show that these evolve into a branch of very soft modes that provide the relevant channel for quasiparticle decay, at energies below the scale of the optical phonon modes. In this regime, we find that the decay rate is proportional to the cube of the quasiparticle energy. This implies that a crossover should be observed in transport properties from the linear dependence characteristic of the high-energy regime to the much slower decay rate due to the soft phonon modes., Comment: 5 pages, 1 figure

We study the superconducting correlations induced in graphene when it is placed between two superconductors, focusing in particular on the supercurrents supported by the 2D system. For this purpose we make use of a formalism placing the emphasis on the many-body aspects of the problem, with the aim of investigating the dependence of the critical currents on relevant variables like the distance L between the superconducting contacts, the temperature, and the doping level. Thus we show that, despite the vanishing density of states at the Fermi level in undoped graphene, supercurrents may exist at zero temperature with a natural 1/L^3 dependence at large L. When temperature effects are taken into account, the supercurrents are further suppressed beyond the thermal length L_T (~ v_F / k_B T, in terms of the Fermi velocity v_F of graphene), entering a regime where the decay is given by a 1/L^5 dependence. On the other hand, the supercurrents can be enhanced upon doping, as the Fermi level is shifted by a chemical potential \mu from the charge neutrality point. This introduces a new crossover length L* ~ v_F / \mu, at which the effects of the finite charge density start being felt, marking the transition from the short-distance 1/L^3 behavior to a softer 1/L^2 decay of the supercurrents at large L. It turns out that the decay of the critical currents is given in general by a power-law behavior, which can be seen as a consequence of the perfect scaling of the Dirac theory applied to the low-energy description of graphene., Comment: 11 pages, 6 figures, to appear in J. Phys.: Condens. Matter

We present a dynamical theory of the Auger decay in one-dimensional (1D) metals described by the Tomonaga-Luttinger model. An analytic expression of the Auger current is derived in the framework of the 1-step approach, where the finite lifetime of the initial core-hole and the core-valence interaction are taken into account. This allows to capture typical dynamical features like the shake-down effect, in which the Auger spectrum shows a non-vanishing weight above the 2-step high-energy threshold. The obtained results give also a hint to understand the sizable suppression of Auger spectral weight closed to the Fermi energy recently observed in carbon nanotubes with respect to graphite., Comment: 6 pages, 2 figures. To appear in Phys. Rev. B

We have determined the screened on-site Coulomb repulsion in graphite and single wall carbon nanotubes by measuring their Auger spectra and performing a new theoretical analysis based on an extended Cini-Sawatzky approach where only one fit parameter is employed. The experimental lineshape is very well reproduced by the theory and this allows to determine the value of the screened on-site repulsion between $2p$ states, which is found to be 2.1 eV in graphite and 4.6 eV in nanotubes. The latter is robust by varying the nanotube radius from 1 to 2 nm., Comment: 5 pages, 3 figures, to appear in Phys. Rev. B

We develop a long wavelength approximation in order to describe the low-energy states of carbon nanotubes in a transverse magnetic field. We show that, in the limit where the square of the magnetic length $l = \sqrt{\hbar c /e B}$ is much larger than the $C$-$C$ distance times the nanotube radius $R$, the low-energy theory is given by the linear coupling of a two-component Dirac spinor to the corresponding vector potential. We investigate in this regime the evolution of the band structure of zig-zag nanotubes for values of $R/l > 1$, showing that for radius $R \approx 20$ nm a clear pattern of Landau levels start to develop for magnetic field strength $B \gtrsim 10$ T. The levels tend to be four-fold degenerate, and we clarify the transition to the typical two-fold degeneracy of graphene as the nanotube is unrolled to form a curved strip. We show that the dynamics of the Dirac fermions leads to states which are localized at the flanks of the nanotube and that carry chiral currents in the longitudinal direction. We discuss the possibility to observe the quantization of the Hall conductivity in thick carbon nanotubes, which should display steps at even multiples of $2 e^2/h$, with values doubled with respect to those in the odd-integer quantization of graphene., Comment: To appear in Phys. Rev. B

We study the electronic instabilities in a 2D Hubbard model where one of the dimensions has a finite width, so that it can be considered as a large array of coupled chains. The finite transverse size of the system gives rise to a discrete string of Fermi points, with respective electron fields that, due to their mutual interaction, acquire anomalous scaling dimensions depending on the point of the string. Using bosonization methods, we show that the anomalous scaling dimensions vanish when the number of coupled chains goes to infinity, implying the Fermi liquid behavior of a 2D system in that limit. However, when the Fermi level is at the Van Hove singularity arising from the saddle points of the 2D dispersion, backscattering and Cooper-pair scattering lead to the breakdown of the metallic behavior at low energies. These interactions are taken into account through their renormalization group scaling, studying in turn their influence on the nonperturbative bosonization of the model. We show that, at a certain low-energy scale, the anomalous electron dimension diverges at the Fermi points closer to the saddle points of the 2D dispersion. The d-wave superconducting correlations become also large at low energies, but their growth is cut off as the suppression of fermion excitations takes place first, extending progressively along the Fermi points towards the diagonals of the 2D Brillouin zone. We stress that this effect arises from the vanishing of the charge stiffness at the Fermi points, characterizing a critical behavior that is well captured within our nonperturbative approach., Comment: 13 pages, 7 figures

We investigate the Cooper-pair propagation and the proximity effect in graphene under conditions in which the distance L between superconducting electrodes is much larger than the width W of the contacts. In the case of undoped graphene, supercurrents may exist with a spatial decay proportional to W^2/L^3. This changes upon doping into a 1/L^2 behavior, opening the possibility to observe a supercurrent over length scales above 1 micron at suitable doping levels. We also show that there is in general a crossover temperature T ~ v_F/k_B L that marks the onset of the strong decay of the supercurrent, and that corresponds to the scale below which the Cooper pairs are not disrupted by thermal effects during their propagation., Comment: 5 pages, 2 figures; corrected discussion

We investigate the electronic instabilities in carbon nanotubes (CNs), looking for the break-down of the one dimensional Luttinger liquid regime due to the strong screening of the long-range part of the Coulomb repulsion. We show that such a breakdown is realized both in ultra-small single wall CNs and multi wall CNs, while a purely electronic mechanism could explain the superconductivity (SC) observed recently in ultra-small (diameter $ \sim 0.4 nm$) single wall CNs ($T_c\sim 15 ^{o}K$) and entirely end-bonded multi-walled ones ($T_c\sim 12 ^{o}K$). We show that both the doping and the screening of long-range part of the electron-electron repulsion, needed to allow the SC phase, are related to the intrinsically 3D nature of the environment where the CNs operate., Comment: 5 pages, 3 figures, PACS: 71.10.Pm,74.50.+r,71.20.Tx, to appear in J. Phys. Cond. Mat

A theoretical analysis of the superconductivity observed recently in Carbon nanotubes is proposed. We argue that ultra-small (diameter $ \sim 0.4 nm$) single wall carbon nanotubes (with transition temperature $T_c\sim 15 ^{o}K$) and entirely end-bonded multi-walled ones ($T_c\sim 12 ^{o}K$) can superconduct by an electronic mechanism, basically the same in both cases. By a Luttinger liquid -like approach, one finds enhanced superconducting correlations due to the strong screening of the long-range part of the Coulomb repulsion. Based on this finding, we perform a detailed analysis on the resulting Hubbard-like model, and calculate transition temperatures of the same order of magnitude as the measured ones., Comment: 6 pages, 1 figure, PACS: 71.10.Pm,74.50.+r,71.20.Tx, to appear in Phys. Rev. B

We consider two disconnected Luttinger liquids which are coupled at $t=0$ through chiral density-density interactions. Both for $t<0$ and $t \geq 0$ the system is exactly solvable by means of bosonization and this allows to evaluate analytically the time-dependence of correlation functions. We find that in the long-time limit the critical exponent governing the one-particle correlation function differs from the exponent dictated by the equilibrium ground state of the coupled system. We also discuss how this reflects on some physical quantities which are accessible in real experiments., Comment: 6 pages, 1 eps fig, revised version accepted for publication in Phys. Rev. B

We investigate the effects of a transverse magnetic field on the transport properties of carbon nanotubes, making use of a long-wavelength description in terms of Dirac fermion fields. For values of the magnetic length smaller than the nanotube radius, we observe that the electronic states organize into incipient Landau subbands, with a highly degenerate level at zero energy. We show that only the states in dispersive branches, localized at the flanks of the nanotube, are able to transport current in the longitudinal direction. This is at the origin of the quantization of the Hall conductivity, that turns out to be given by even multiples of 2 e^2 /h. We also analyze the effects of the electron-electron interaction, showing that the magnetic field induces a suppression of the electronic correlations, reflected in particular in the enhancement of the tunneling density of states near the Fermi level., Comment: 4 pages, REVTeX, submitted to PRL, corrected typos

Recently, ultra-small-diameter Single Wall Nano Tubes with diameter of $ \sim 0.4 nm$ have been produced and many unusual properties were observed, such as superconductivity, leading to a transition temperature $T_c\sim 15^oK$, much larger than that observed in the bundles of larger diameter tubes. By a comparison between two different approaches, we discuss the issue whether a superconducting behavior in these carbon nanotubes can arise by a purely electronic mechanism. The first approach is based on the Luttinger Model while the second one, which emphasizes the role of the lattice and short range interaction, is developed starting from the Hubbard Hamiltonian. By using the latter model we predict a transition temperature of the same order of magnitude as the measured one., Comment: 7 pages, 3 figures, to appear in J. Phys.-Cond. Mat

We devise an approach to describe the electronic instabilities of doped multi-walled nanotubes, where each shell has in general a manifold of Fermi points. Our analysis relies on the scale dependence of the different scattering processes, showing that a pairing instability arises for a large enough number of Fermi points as a consequence of their particular geometric arrangement. The instability is enhanced by the tunneling of Cooper pairs between nearest shells, giving rise to a transition from the Luttinger liquid to a superconducting state in a wide region of the phase diagram., Comment: 4 pages, 2 figures, replaced with revised version

We develop in this paper a theoretical framework that applies to the intermediate regime between the Coulomb blockade and the Luttinger liquid behavior in multi-walled carbon nanotubes. Our main goal is to confront the experimental observations of transport properties, under conditions in which the thermal energy is comparable to the spacing between the single-particle levels. For this purpose we have devised a many-body approach to the one-dimensional electron system, incorporating the effects of a discrete spectrum. We show that, in the crossover regime, the tunneling conductance follows a power-law behavior as a function of the temperature, with an exponent that oscillates with the gate voltage as observed in the experiments. Also in agreement with the experimental observations, a distinctive feature of our approach is the existence of an inflection point in the log-log plots of the conductance vs temperature, at gate voltages corresponding to peaks in the oscillation of the exponent. Moreover, we evaluate the effects of a transverse magnetic field on the transport properties of the multi-walled nanotubes. For fields of the order of 4 T, we find changes in the band structure that may be already significant for the outer shells, leading to an appreciable variation in the power-law behavior of the conductance. We then foresee the appearance of sensible modulations in the exponent of the conductance for higher magnetic fields, as the different subbands are shifted towards the development of flat Landau levels., Comment: 11 pages, 10 figures, PACS: 73.63.Fg, 73.22.-f, 73.23.-b

We investigate the electronic instabilities of the small-diameter (3,3) carbon nanotubes by studying the low-energy perturbations of the normal Luttinger liquid regime. The bosonization approach is adopted to deal exactly with the interactions in the forward-scattering channels, while renormalization group methods are used to analyze the low-energy instabilities. In this respect, we take into account the competition between the effective e-e interaction mediated by phonons and the Coulomb interaction in backscattering and Umklapp channels. Moreover, we apply our analysis to relevant experimental conditions where the nanotubes are assembled into large three-dimensional arrays, which leads to an efficient screening of the Coulomb potential at small momentum-transfer. We find that the destabilization of the normal metallic behavior takes place through the onset of critical behavior in some of the two charge stiffnesses that characterize the Luttinger liquid state. From a physical point of view, this results in either a divergent compressibility or a vanishing renormalized velocity for current excitations at the point of the transition. We observe anyhow that this kind of critical behavior occurs without the development of any appreciable sign of superconducting correlations., Comment: 10 pages, 12 figures

We investigate the instabilities that may lead to the breakdown of the Luttinger liquid in the small-diameter (5,0) nanotubes, paying attention to the competition between the effective interaction mediated by phonon-exchange and the Coulomb interaction. We use bosonization methods to achieve an exact treatment of the Coulomb interaction at small momentum-transfer, and apply next renormalization group methods to analyze the low-energy behavior of the electron system. This allows us to discern the growth of several response functions for charge-density-wave modulations and for superconducting instabilities with different order parameters. We show that, in the case of single nanotubes exposed to screening by external gates, the Luttinger liquid is unstable against the onset of a strong-coupling phase with very large charge-density-wave correlations. The temperature of crossover to the new phase depends crucially on the dielectric constant $\kappa $ of the environment, ranging from $T_{C}\sim 10^{-4} {\rm K}$ (at $\kappa \approx 1$) up to a value $T_{C} \sim 10^{2} {\rm K}$ (reached from $\kappa \approx 10$). The physical picture is however different when we consider the case of a large array of nanotubes, in which there is a 3D screening of the Coulomb interaction over distances much larger than the intertube separation. The electronic instability is then triggered by the divergence of one of the charge stiffnesses in the Luttinger liquid, implying a divergent compressibility and the appearance of a regime of phase separation into spatial regions with excess and defect of electron density., Comment: 16 pages, 14 eps figures; corrected typos, one reference added