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The structure of the electronic nonlinear optical conductivity is elucidated in a detailed study of the time-reversal symmetric two-band model. The nonlinear conductivity is decomposed as a sum of contributions related with different regions of the First Brillouin Zone, defined by single or multiphoton resonances. All contributions are written in terms of the same integrals, which contain all information specific to the particular model under study. In this way, ready-to-use formulas are provided that reduce the often tedious calculations of the second and third order optical conductivity to the evaluation of a small set of similar integrals. In the scenario where charge carriers are present prior to optical excitation, Fermi surface contributions must also be considered and are shown to have an universal frequency dependence, tunable by doping. General characteristics are made evident in this type of resonance-based analysis: the existence of step functions that determine the chemical potential dependence of electron-hole symmetric insulators; the determination of the imaginary part by Hilbert transforms, simpler than those of the nonlinear Kramers-Kr\"{o}nig relations; the absence of Drude peaks in the diagonal elements of the second order conductivity, among others. As examples, analytical expressions are derived for the nonlinear conductivities of some simple systems: a very basic model of direct gap semiconductors and the Dirac fermions of monolayer graphene.

The Schr\"odinger equation in a square or rectangle with hard walls is solved in every introductory quantum mechanics course. Solutions for other polygonal enclosures only exist in a very restricted class of polygons, and are all based on a result obtained by Lam\'e in 1852. Any enclosure can, of course, be addressed by finite element methods for partial differential equations. In this paper, we present a variational method to approximate the low-energy spectrum and wave-functions for arbitrary convex polygonal enclosures, developed initially for the study of vibrational modes of plates. In view of the recent interest in the spectrum of quantum dots of two dimensional materials, described by effective models with massless electrons, we extend the method to the Dirac-Weyl equation for a spin-1/2 fermion confined in a quantum billiard of polygonal shape, with different types of boundary conditions. We illustrate the method's convergence in cases where the spectrum in known exactly and apply it to cases where no exact solution exists., Comment: 17 pages, 10 figures

In this work, we present the analytical expression for the second order divergence in the third order DC response of a cold semiconductor, which can be probed by different electric field setups. Results from this expression were then compared, for the response of the gapped graphene monolayer, with numerical results from a velocity gauge calculation of the third order conductivity. The good agreement between the two validates our analytical expression., Comment: 8 pages, 4 figures

A first-order gauge invariant formulation for the two-dimensional quantum rigid rotor is long known in the theoretical physics community as an isolated peculiar model. Parallel to that fact, the longstanding constraints abelianization problem, aiming at the conversion from second to first class systems for quantization purposes, has been approached a number of times in the literature with a handful of different forms and techniques and still continues to be a source of lively and interesting discussions. Connecting these two points, we develop a new systematic method for converting second class systems to first class ones, valid for a class of systems encompassing the quantum rigid rotor as a special case. In particular the gauge invariance of the quantum rigid rotor is fully clarified and generalized in the context of arbitrary translations along the radial momentum direction. Our method differs substantially from previous ones as it does not rely neither on the introduction of new auxiliary variables nor on the a priori interpretation of the second class constraints as coming from a gauge-fixing process.

The possibility of having a delocalization transition in the 1D de Moura-Lyra class of models (having a power-spectrum $\propto q^{-\alpha})$ has been the object of a long standing discussion in the literature, filled with ambiguities. In this letter, we report the first numerical evidences that such a transition happens at $\alpha=1$, where the localization length (measured from the scaling of the conductance) is shown to diverge as $(1-\alpha)^{-1}$. The persistent finite-size scaling of the data is shown to be caused by a very slow convergence of the nearest-neighbor correlator to its infinite-size limit, and controlled by the choice of a proper scaling parameter. This last conclusion leads to the re-interpretation of the localization in these models to be caused by an effective Anderson uncorrelated model at small length-scales. Finally, the numerical results are confirmed by analytical perturbative calculations which are built on previous work., Comment: 6 pages, 4 figures Submitted to Physical Review B on the 25th of March 2019

In this work, we present numerical results for the second and third order conductivities of the plain graphene and gapped graphene monolayers associated with the second and third harmonic generation, the optical rectification and the optical Kerr effect. The frequencies considered here range from the microwave to the ultraviolet portion of the spectrum, the latter end of which had not yet been studied. These calculations are performed in the velocity gauge and directly address the components of the conductivity tensor. In the velocity gauge, the radiation field is represented by a power series in the vector potential, and we discuss a very efficient way of calculating its coefficients in the context of tight-binding models., Comment: 13 pages, 19 figures

We investigate the spectral function of Bloch states in an one-dimensional tight-binding non-interacting chain with two different models of static correlated disorder, at zero temperature. We report numerical calculations of the single-particle spectral function based on the Kernel Polynomial Method, which has an $\mathcal{O}(N)$ computational complexity. These results are then confirmed by analytical calculations, where precise conditions were obtained for the appearance of a classical limit in a single-band lattice system. Spatial correlations in the disordered potential give rise to non-perturbative spectral functions shaped as the probability distribution of the random on-site energies, even at low disorder strengths. In the case of disordered potentials with an algebraic power-spectrum, $\propto\left|k\right|^{-\alpha}$, we show that the spectral function is not self-averaging for $\alpha\geq1$., Comment: 27 Pages with 10 Figures

In this work, the difficulties inherent to perturbative calculations in the velocity gauge are addressed. In particular, it is shown how calculations of nonlinear optical responses in the independent particle approximation can be done to any order and for any finite band model. The procedure and advantages of the velocity gauge in such calculations are described. The addition of a phenomenological relaxation parameter is also discussed. As an illustration, the nonlinear optical response of monolayer graphene is numerically calculated using the velocity gauge.

The formalism of the reduced density matrix is pursued in both length and velocity gauges of the perturbation to the crystal Hamiltonian. The covariant derivative is introduced as a convenient representation of the position operator. This allow us to write compact expressions for the reduced density matrix in any order of the perturbation which simplifies the calculations of nonlinear optical responses; as an example, we compute the first and third order contributions of the monolayer graphene. Expressions obtained in both gauges share the same formal structure, allowing a comparison of the effects of truncation to a finite set of bands. This truncation breaks the equivalence between the two approaches: its proper implementation can be done directly in the expressions derived in the length gauge, but require a revision of the equations of motion of the reduced density matrix in the velocity gauge., Comment: 13 pages, 1 figure

We develop an analytical scattering formalism for computing the transmittance through periodic defect lines within the tight-binding model of graphene. We first illustrate the method with a relatively simple case, the pentagon-only defect line. Afterwards, more complex defect lines are treated, namely the zz(558) and the zz(5757) ones. The formalism developed, only uses simple tight-binding concepts, reducing the problem to matrix manipulations which can be easily worked out by any computational algebraic calculator., Comment: 36 pages, 15 figures

We study the low-energy electronic transport across periodic extended defects in graphene. In the continuum low-energy limit, such defects act as infinitesimally thin stripes separating two regions where Dirac Hamiltonian governs the low-energy phenomena. The behavior of these systems is defined by the boundary condition imposed by the defect on the massless Dirac fermions. We demonstrate how this low-energy boundary condition can be computed from the tight-binding model of the defect line. For simplicity we consider defect lines oriented along the zigzag direction, which requires the consideration of only one copy of Dirac equation. Three defect lines of this kind are studied and shown to be mappable between them: the pentagon-only, the zz(558) and the zz(5757) defect lines. In addition, in this same limit, we calculate the conductance across such defect lines with size L, and find it to be proportional to k_FL at low temperatures., Comment: Major revision relative to version v1; http://prb.aps.org/abstract/PRB/v86/i21/e214206

The continuum model of the twisted graphene bilayer (Phys. Rev. Lett. 99, 256802, 2007) is extended to include all types of commensurate structures. The essential ingredient of the model, the Fourier components of the spatially modulated hopping amplitudes, can be calculated analytically, for any type of commensurate structures in the low twist angle limit. We show that the Fourier components that could give rise to a gap in the SE-even structures discussed by Mele (Phys. Rev. B 81, 161405 2010) vanish linearly with angle, whereas the amplitudes that saturate to finite values, as $\theta\to0$, ensure that all low angle structures share essentially the same physics. We extend our previous calculations beyond the validity of perturbation theory, to discuss the disappearance of Dirac cone structure at angles below 1^{\circ}., Comment: 13 pages, 17 figures

In this article, we study zigzag graphene nanoribbons with edges reconstructed with Stone-Wales defects, by means of an empirical (first-neighbor) tight-binding method, with parameters determined by ab-initio calculations of very narrow ribbons. We explore the characteristics of the electronic band structure with a focus on the nature of edge states. Edge reconstruction allows the appearance of a new type of edge states. They are dispersive, with non-zero amplitudes in both sub-lattices; furthermore, the amplitudes have two components that decrease with different decay lengths with the distance from the edge; at the Dirac points one of these lengths diverges, whereas the other remains finite, of the order of the lattice parameter. We trace this curious effect to the doubling of the unit cell along the edge, brought about by the edge reconstruction. In the presence of a magnetic field, the zero-energy Landau level is no longer degenerate with edge states as in the case of pristine zigzag ribbon., Comment: 15 pages

We show that Coulomb drag in ultra-clean graphene double layers can be used for controlling the on/off ratio for current flow by tunning the external gate voltage. Hence, although graphene remains semi-metallic, the double layer graphene system can be tuned from conductive to a highly resistive state. We show that our results explain previous data of Coulomb drag in double layer graphene samples in disordered SiO2 substrates., Comment: The version v2 has an extra figure as supplementary information

We perform a phenomenological analysis of the problem of the electronic doping of a graphene sheet by deposited transition metal atoms, which aggregate in clusters. The sample is placed in a capacitor device such that the electronic doping of graphene can be varied by the application of a gate voltage and such that transport measurements can be performed via the application of a (much smaller) voltage along the graphene sample, as reported in the work of Pi et al. [Phys. Rev. B 80, 075406 (2009)]. The analysis allows us to explain the thermodynamic properties of the device, such as the level of doping of graphene and the ionisation potential of the metal clusters in terms of the chemical interaction between graphene and the clusters. We are also able, by modelling the metallic clusters as perfect conducting spheres, to determine the scattering potential due to these clusters on the electronic carriers of graphene and hence the contribution of these clusters to the resistivity of the sample. The model presented is able to explain the measurements performed by Pi et al. on Pt-covered graphene samples at the lowest metallic coverages measured and we also present a theoretical argument based on the above model that explains why significant deviations from such a theory are observed at higher levels of coverage., Comment: 16 pages, 10 figures

Bilayer graphene -- two coupled single graphene layers stacked as in graphite -- provides the only known semiconductor with a gap that can be tuned externally through electric field effect. Here we use a tight binding approach to study how the gap changes with the applied electric field. Within a parallel plate capacitor model and taking into account screening of the external field, we describe real back gated and/or chemically doped bilayer devices. We show that a gap between zero and midinfrared energies can be induced and externally tuned in these devices, making bilayer graphene very appealing from the point of view of applications. However, applications to nanotechnology require careful treatment of the effect of sample boundaries. This being particularly true in graphene, where the presence of edge states at zero energy -- the Fermi level of the undoped system -- has been extensively reported. Here we show that also bilayer graphene supports surface states localized at zigzag edges. The presence of two layers, however, allows for a new type of edge state which shows an enhanced penetration into the bulk and gives rise to band crossing phenomenon inside the gap of the biased bilayer system., Comment: 8 pages, 3 fugures, Proceedings of the International Conference on Theoretical Physics: Dubna-Nano2008

Electronic instabilities at the crossing of the Fermi energy with a Van Hove singularity in the density of states often lead to new phases of matter such as superconductivity, magnetism or density waves. However, in most materials this condition is difficult to control. In the case of single-layer graphene, the singularity is too far from the Fermi energy and hence difficult to reach with standard doping and gating techniques. Here we report the observation of low-energy Van Hove singularities in twisted graphene layers seen as two pronounced peaks in the density of states measured by scanning tunneling spectroscopy. We demonstrate that a rotation between stacked graphene layers can generate Van Hove singularities, which can be brought arbitrarily close to the Fermi energy by varying the angle of rotation. This opens intriguing prospects for Van Hove singularity engineering of electronic phases., Comment: 21 pages 5 figures

We study the capacity of antiferromagnetic lattices of varying geometries to entangle two additional spin-1/2 probes. Analytical modeling of the Quantum Monte Carlo data shows the appearance of a robust gap, allowing a description of entanglement in terms of probe-only states, even in cases where the coupling to the probes is larger than the gap of the spin lattice and cannot be treated perturbatively. We find a considerable enhancement of the temperature at which probe entanglement disappears as we vary the geometry of the bus and the coupling to the probes. In particular, the square Heisenberg antiferromagnet exhibits the best thermal robustness of all systems, whereas the three-leg ladder chain shows the best performance in the natural quantum ground state., Comment: 12 pages, 10 figures, 1 table + appendices (published version)

In this paper we derive general relations for the band-structure of an array of quantum dots and compute its transport properties when connected to two perfect leads. The exact lattice Green's functions for the perfect array and with an attached adatom are derived. The expressions for the linear conductance for the perfect array as well as for the array with a defect are presented. The calculations are illustrated for a dot made of three atoms. The results derived here are also the starting point to include the effect of electron-electron and electron-phonon interactions on the transport properties of quantum dot arrays. Different derivations of the exact lattice Green's functions are discussed.

In this paper we analyse the electronic properties of Dirac electrons in finite-size ribbons and in circular and hexagonal quantum dots made of graphene., Comment: Contribution for J. Phys.: Cond. Mat. special issue on graphene physics

In the manganites $RE_{1-x}AE_{x}$MnO$_{3}$ ($RE$ and $AE$ being rare-earth and alkaline-earth elements, respectively) the random distribution of $RE^{3+}$ and $AE^{2+}$ induces random, but correlated, shifts of site energies of charge carriers in the Mn sites. We consider a realistic model of this diagonal disorder, in addition to the double-exchange hopping disorder, and investigate the metal-insulator transition as a function of temperature, across the paramagnetic-ferromagnetic line, and as a function of doping $x$. Contrary to previous results, we find that values of parameters, estimated from the electronic structure of the manganites, are not incompatible with the possibility of a disorder induced metal to insulator transition accompanying the ferromagnetic to paramagnetic transition at intermediate doping ($x\sim0.2-0.4$). These findings indicate clearly that substitutional disorder has to be considered as an important effect when addressing the colossal magnetoresistance properties of manganites., Comment: 4 pages, 2 figures (published version)

We study, within the tight-binding approximation, the electronic properties of a graphene bilayer in the presence of an external electric field applied perpendicular to the system -- \emph{biased bilayer}. The effect of the perpendicular electric field is included through a parallel plate capacitor model, with screening correction at the Hartree level. The full tight-binding description is compared with its 4-band and 2-band continuum approximations, and the 4-band model is shown to be always a suitable approximation for the conditions realized in experiments. The model is applied to real biased bilayer devices, either made out of SiC or exfoliated graphene, and good agreement with experimental results is found, indicating that the model is capturing the key ingredients, and that a finite gap is effectively being controlled externally. Analysis of experimental results regarding the electrical noise and cyclotron resonance further suggests that the model can be seen as a good starting point to understand the electronic properties of graphene bilayer. Also, we study the effect of electron-hole asymmetry terms, as the second-nearest-neighbor hopping energies $t'$ (in-plane) and $\gamma_{4}$ (inter-layer), and the on-site energy $\Delta$., Comment: 15 pages, 9 figures, published shorter version

We report the existence of zero energy surface states localized at zigzag edges of $N$-layer graphene. Working within the tight-binding approximation, and using the simplest nearest-neighbor model, we derive the analytic solution for the wavefunctions of these peculiar surface states. It is shown that zero energy edge states in multilayer graphene can be divided into three families: (i) states living only on a single plane, equivalent to surface states in monolayer graphene; (ii) states with finite amplitude over the two last, or the two first layers of the stack, equivalent to surface states in bilayer graphene; (iii) states with finite amplitude over three consecutive layers. Multilayer graphene edge states are shown to be robust to the inclusion of the next nearest-neighbor interlayer hopping. We generalize the edge state solution to the case of graphite steps with zigzag edges, and show that edge states measured through scanning tunneling microscopy and spectroscopy of graphite steps belong to family (i) or (ii) mentioned above, depending on the way the top layer is cut., Comment: 6 pages, 4 figures

We consider the double exchange model at very low densities. The conditions for the formation of self-trapped magnetic polarons are analyzed using an independent polaron model. The issue of phase separation in the low density region of the temperature-density phase diagram is discussed. We show how electrostatic and localization effects can lead to the substantial suppression of the phase separated regime. By examining connections between the resulting phase and the polaronic phase, we conclude that they reflect essentially the same physical situation of a ferromagnetic droplet containing one single electron. In the ultra diluted regime, we explore the possible stabilization of a Wigner crystal of magnetic polarons. Our results are compared with the experimental evidence for a polaronic phase in europium hexaboride, and we are able to reproduce the experimental region of stability of the polaronic phase. We further demonstrate that phase-separation is a general feature expected in metallic ferromagnets whose bandwidth depends on the magnetization., Comment: This paper is a long version of arXiv:cond-mat/0505741

We study the edge magnetization of bilayer graphene ribbons with zigzag edges. The presence of flat edge-state bands at the Fermi energy of undoped bilayer, which gives rise to a strong peak in the density of states, makes bilayer ribbons magnetic at the edges even for very small on-site electronic repulsion. Working with the Hubbard model in the Hartree Fock approximation we show that the magnetic structure in bilayer ribbons with zigzag edges is ferromagnetic along the edge, involving sites of the two layers, and antiferromagnetic between opposite edges. It is also shown that this magnetic structure is a consequence of the nature of the edge states present in bilayer ribbons with zigzag edges. Analogously to the monolayer case, edge site magnetization as large as $m \approx0.2 \mu_{B}$ (per lattice site) even at small on-site Hubbard repulsion $U \approx 0.3 {eV}$ is realized in nanometer wide bilayer ribbons., Comment: 6 pages, 4 figures

We present an inexpensive apparatus for measuring the speed of sound, with a time of flight method, using a computer with a stereo sound board. Students measure the speed of sound by timing the delay between the arrivals of a pulse to two microphones placed at different distances from the source. It can serve as a very effective demonstration, providing a quick measurement of the speed of sound in air; we have used it with great success in Open Days in our Department. It can also be used for a full fledged laboratory determination of the speed of sound in air., Comment: Accepted for publication in The Physics Teacher

We present a study of different models of local disorder in graphene. Our focus is on the main effects that vacancies -- random, compensated and uncompensated --, local impurities and substitutional impurities bring into the electronic structure of graphene. By exploring these types of disorder and their connections, we show that they introduce dramatic changes in the low energy spectrum of graphene, viz. localized zero modes, strong resonances, gap and pseudogap behavior, and non-dispersive midgap zero modes., Comment: 16 pages, lower resolution figures

Double layer graphene is a gapless semiconductor which develops a finite gap when the layers are placed at different electrostatic potentials. We study, within the tight-biding approximation, the electronic properties of the gaped graphene bilayer in the presence of disorder, perpendicular magnetic field, and transverse electric field. We show that the gap is rather stable in the presence of diagonal disorder. We compute the cyclotron effective mass in the semi-classical approximation, valid at low magnetic fields. Landau level formation is clearly seen in zigzag and armchair ribbons of the gaped bilayer at intermediate magnetic fields., Comment: 5 pages, 4 figures

Using a semi-classical approach and input from experiments on the conductivity of graphene, we determine the electronic density dependence of the electronic transport coefficients -- conductivity, thermal conductivity and thermopower -- of doped graphene. Also the electronic density dependence of the optical conductivity is obtained. Finally we show that the classical Hall effect (low field) in graphene has the same form as for the independent electron case, characterized by a parabolic dispersion, as long as the relaxation time is proportional to the momentum., Comment: 4 pages, 1 figure

We give an analytical description of long distance entanglement (LDE) mediated by one-dimensional quantum spin chains recently found in numerical studies. We develop a formalism that allows the computation of LDE for weakly interacting probes with gapped many-body systems. At zero temperature, a DC response function determines the ability of the physical system to generate genuine quantum correlations between the probes. We show that the biquadratic Heisenberg spin-1 chain is able to produce LDE in the thermodynamical limit and that the finite antiferromagnetic Heisenberg chain maximally entangles two spin-1/2 probes very far apart. These results support the current perspective of using quantum spin chains as entanglers or quantum channels in quantum information devices., Comment: 4 pages, 2 figures, submitted for publication

We report the existence of zero energy surface states localized at zigzag edges of bilayer graphene. Working within the tight-binding approximation we derive the analytic solution for the wavefunctions of these peculiar surface states. It is shown that zero energy edge states in bilayer graphene can be divided into two families: (i) states living only on a single plane, equivalent to surface states in monolayer graphene; (ii) states with finite amplitude over the two layers, with an enhanced penetration into the bulk. The bulk and surface (edge) electronic structure of bilayer graphene nanoribbons is also studied, both in the absence and in the presence of a bias voltage between planes., Comment: 4 pages, 5 figures

We present exact analytical and numerical results for the electronic spectra and the Friedel oscillations around a substitutional impurity atom in a graphene lattice. A chemical dopant in graphene introduces changes in the on-site potential as well as in the hopping amplitude. We employ a T-matrix formalism and find that disorder in the hopping introduces additional interference terms around the impurity that can be understood in terms of bound, semi-bound, and unbound processes for the Dirac electrons. These interference effects can be detected by scanning tunneling microscopy., Comment: 4 pages, 7 figures

Electronic properties of bilayer and multilayer graphene have generally been interpreted in terms of AB or Bernal stacking. However, it is known that many types of stacking defects can occur in natural and synthetic graphite; rotation of the top layer is often seen in scanning tunneling microscopy (STM) studies of graphite. In this paper we consider a graphene bilayer with a relative small angle rotation between the layers and calculate the electronic structure near zero energy in a continuum approximation. Contrary to what happens in a AB stacked bilayer and in accord with observations in epitaxial graphene we find: (a) the low energy dispersion is linear, as in a single layer, but the Fermi velocity can be significantly smaller than the single layer value; (b) an external electric field, perpendicular to the layers, does not open an electronic gap, Comment: 4 pages, 3 eps figures

We demonstrate that the electronic gap of a graphene bilayer can be controlled externally by applying a gate bias. From the magneto-transport data (Shubnikov-de Haas measurements of the cyclotron mass), and using a tight binding model, we extract the value of the gap as a function of the electronic density. We show that the gap can be changed from zero to mid-infrared energies to a value as large as 0.3 eV by using fields of < 1 V/nm, below the electric breakdown of SiO2. The opening of a gap is clearly seen in the quantum Hall regime., Comment: 4 pages, 5 figures. To appear in Physical Review Letters, November 2007

We propose a new recursive procedure to estimate the microcanonical density of states in multicanonical Monte Carlo simulations which relies only on measurements of moments of the energy distribution, avoiding entirely the need for energy histograms. This method yields directly a piecewise analytical approximation to the microcanonical inverse temperature, $\beta(E)$, and allows improved control over the statistics and efficiency of the simulations. We demonstrate its utility in connection with recently proposed schemes for improving the efficiency of multicanonical sampling, either with adjustment of the asymptotic energy distribution or with the replacement of single spin flip dynamics with collective updates., Comment: 8 pages, 10 figures

We consider the electronic structure near vacancies in the half-filled honeycomb lattice. It is shown that vacancies induce the formation of localized states. When particle-hole symmetry is broken, localized states become resonances close to the Fermi level. We also study the problem of a finite density of vacancies, obtaining the electronic density of states, and discussing the issue of electronic localization in these systems. Our results also have relevance for the problem of disorder in d-wave superconductors., Comment: Replaced with published version. 4 pages, 4 figures. Fig. 1 was revised

We obtain the phase diagram of the double-exchange model at low electronic densities in the presence of electron-electron interactions. The single particle problem and its extension to low electronic densities, when a Wigner crystal of magnetic polarons is generated due to unscreened Coulomb interactions, is studied. It is argued that the Wigner crystal is the natural alternative to phase separation when the Coulomb interaction is taken into account. We discuss the thermal and quantum stability of the crystalline phase towards a polaronic Fermi liquid and a homogeneous, metallic, ferromagnetic phase. The relevance and application of our results to EuB_6 is also considered., Comment: 4 pages, 2 figures