We address the interaction of graphene with 3d transition metal adatoms and the formation of localized magnetic moments by means of first-principles calculations. By comparing calculations within the generalized gradient approximation (GGA) to GGA+U we find that the electronic configuration and the adsorption geometries can be very sensitive to effects of local Coulomb interactions U in the transition metal d-orbitals. We find high-spin configurations being favorable for Cr and Mn adatoms independent of the functional. For Fe, Co and Ni different electronic configurations are realized depending on the value of the local Coulomb interaction strength U. Chemical control over the spin of the adatoms by hydrogenation is demonstrated: NiH and CoH adsorbed to graphene exhibit spin S=1/2 and S=1, respectively.
Using a novel structure, consisting of two, independently contacted graphene single layers separated by an ultra-thin dielectric, we experimentally measure the Coulomb drag of massless fermions in graphene. At temperatures higher than 50 K, the Coulomb drag follows a temperature and carrier density dependence consistent with the Fermi liquid regime. As the temperature is reduced, the Coulomb drag exhibits giant fluctuations with an increasing amplitude, thanks to the interplay between coherent transport in the graphene layer and interaction between the two layers.
We have investigated the Coulomb screening properties and collective excitations in a graphene bilayer. The static screening effect is anisotropic and is much stronger in the undoped graphene bilayer than in a monolayer graphene [1]. The dynamic screening shows the properties of a Dirac gas in the low frequency and that of a Fermi gas in the high frequency. The transition from the Dirac to the Fermi gas is also observed in the plasmon spectrum. Finally, we find that an electron gas in a doped graphene bilayer has quite similar properties as those of a Fermi gas in materials containing two ener…
The strong Coulomb interaction between massless Dirac fermions can drive a semimetal-insulator transition in single-layer graphene by dynamically generating an excitonic fermion gap. There is a critical interaction strength $λ_c$ that separates the semimetal phase from the insulator phase. We calculate the specific heat and susceptibility of the system and show that they exhibit distinct behaviors in the semimetal and insulator phases.
We study interacting Dirac quasiparticles in disordered graphene and find that an interplay between the unscreened Coulomb interactions and pseudo-relativistic quasiparticle kinematics can be best revealed in the ballistic regime, whereas in the diffusive limit the behavior is qualitatively (albeit, not quantitatively) similar to that of the ordinary 2DEG with parabolic dispersion. We calculate the quasiparticle width and density of states that can be probed by photoemission, tunneling, and magnetization measurements.
We give an update of the situation concerning the effect of electron-electron interactions on the physics of a neutral graphene system at low energies. We revise old renormalization group results and the use of 1/N expansion to address questions of the possible opening of a low-energy gap, and the magnitude of the graphene fine structure constant. We emphasize the role of Fermi velocity as the only free parameter determining the transport and electronic properties of the graphene system and revise its renormalization by Coulomb interactions in the light of recent experimental evidence.
We address the computation of physical observables in graphene in the presence of Coulomb interactions of density-density type modeled with a static Coulomb potential within a quantum field theory perturbative renormalization scheme. We show that all the divergences encountered in the physical quantities are associated to the one loop electron self-energy and can be determined without ambiguities by a proper renormalization of the Fermi velocity. The renormalization of the photon polarization to second order in perturbation theory - a quantity directly related to the optical conductivity - is …
Graphene nanodisk is a graphene derivative with a closed edge. The trigonal zigzag nanodisk with size $N$ has $N$-fold degenerated zero-energy states. We investigate electron-electron interaction effects in the zero-energy sector. We explicitely derive the direct and exchange interactions, which are found to have no SU($N$) symmetry. Then, regarding a nanodisk as a quantum dot with an internal degree of freedom, we analyze the nanodisk-lead system consisting of a nanodisk and two leads. Employing the standard Green function method, we reveal novel Coulomb blockade effects in the system. The oc…
We argue that the unscreened Coulomb interaction in graphene provides a positive, universal, and logarithmic correction to scaling of zero-temperature conductivity with frequency. The combined effect of the disorder due to wrinkling of the graphene sheet and the long range electron-electron interactions is a finite positive contribution to the dc conductivity. This contribution is disorder strength dependent and thus non-universal. The low-energy behavior of such a system is governed by the line of fixed points at which both the interaction and disorder are finite, and the density of states is…
The quasi-2D electrons in graphene behave as massless fermions obeying a Dirac-Weyl equation in the low-energy regime near the two Fermi points. The stability of spin-polarized phases (SPP) in graphene is considered. The exchange energy is evaluated from the analytic pair-distribution functions, and the correlation energies are estimated via a closely similar four-component 2D electron fluid which has been investigated previously. SPPs appear for sufficiently high doping, when the exchange energy alone is considered. However, the inclusion of correlations is found to {\it suppress} the spin-ph…
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.
Coulomb interaction is of central importance in localized energy levels (bound states) or electronic flat bands and could result in many exotic quantum phases, such as magnetic, superconducting, and topological phases in graphene systems1-14. In graphene monolayer, the relativistic massless Dirac fermion nature of the charge carriers enables us to realize unprecedented quasibound states, which are trapped temporarily via whispering-gallery modes (WGMs) with the lifetime (trapping time) of ~ 10 fs, in circular graphene quantum dots (GQDs)15-20. Here we show that Coulomb interaction still plays …
We report a theoretical study of the many-body effects of electron-electron interaction on the ground-state and spectral properties of double-layer graphene. Using a projector-based renormalization method we show that if a finite voltage difference is applied between the graphene layers electron-hole pairs can be formed and---at very low temperatures---an excitonic instability might emerge in a double-layer graphene structure. The single-particle spectral function near the Fermi surface exhibits a prominent quasiparticle peak, different from neutral (undoped) graphene bilayers. Away from the F…
To understand how nonlocal Coulomb interactions affect the phase diagram of correlated electron materials, we report on a method to approximate a correlated lattice model with nonlocal interactions by an effective Hubbard model with on-site interactions U* only. The effective model is defined by the Peierls-Feynman-Bogoliubov variational principle. We find that the local part of the interaction U is reduced according to U*=U-V', where V' is a weighted average of nonlocal interactions. For graphene, silicene and benzene we show that the nonlocal Coulomb interaction can decrease the effective lo…
We implement a self-consistent Hartree-Fock approximation based on a microscopic model in real space, which allows us to consider the interplay between the Hubbard and the extended Coulomb interaction in twisted bilayer graphene at the magic angle. These two interactions tend to favor different symmetry breaking patterns, having therefore complementary roles in the regimes where one or the other dominates. We show that, for sufficiently large values of the on-site Hubbard repulsion, magic angle graphene has an antiferromagnetic ground state at the charge neutrality point, while at half-filling…
Anisotropic Dirac cones can appear in a number of correlated electron systems, such as cuprate superconductors and deformed graphene. We study the influence of long-range Coulomb interaction on the physical properties of an anisotropic graphene by using the renormalization group method and 1/N expansion, where N is the flavor of Dirac fermions. Our explicit calculations reveal that the anisotropic fermion velocities flow monotonously to an isotropic fixed point in the lowest energy limit in clean graphene. We then incorporate three sorts of disorders, including random chemical potential, rando…
The effect of Coulomb scattering on graphene conductivity in field effect transistor structures is discussed. Inter-particle scattering (electron-electron, hole-hole, and electron-hole) and scattering on charged defects are taken into account in a wide range of gate voltages. It is shown that an intrinsic conductivity of graphene (purely ambipolar system where both electron and hole densities exactly coincide) is defined by strong electron-hole scattering. It has a universal value independent of temperature. We give an explicit derivation based on scaling theory. When there is even a small dis…
The supercritical instability in a system of two identical charged impurities in gapped graphene described in the continuous limit by the two-dimensional Dirac equation has been studied. The case where the charge of each impurity is subcritical, but their sum exceeds the critical value calculated in the version with a single Coulomb center, is considered. Using the developed variational method, the dependence of the critical distance $R_{\rm cr}$ between the impurities on their total charge is calculated. The $R_{\rm cr}$-value is found to grow as the total impurity charge increases and the qu…
We address the problem of an unscreened Coulomb charge in graphene, and calculate the local density of states and displaced charge as a function of energy and distance from the impurity. This is done non-perturbatively in two different ways: (1) solving the problem exactly by studying numerically the tight-binding model on the lattice; (2) using the continuum description in terms of the 2D Dirac equation. We show that the Dirac equation, when properly regularized, provides a qualitative and quantitative low energy description of the problem. The lattice solution shows extra features that canno…
To obtain an effective many-body model of graphene and related materials from first principles we calculate the partially screened frequency dependent Coulomb interaction. In graphene, the effective on-site (Hubbard) interaction is U_00 = 9.3 eV in close vicinity to the critical value separating conducting graphene from an insulating phase emphasizing the importance of non-local Coulomb terms. The nearest-neighbor Coulomb interaction strength is computed to U_01 = 5.5 eV. In the long wavelength limit, we find the effective background dielectric constant of graphite to be ε= 2.5 in very good ag…
We investigate interaction effects in transport phenomena in bilayer graphene (BLG). For the minimal conductivity in pristine BLG, we find that the conductivity assumes a constant value in the limit $T\to 0$, with the first correction being $\propto \sqrt{T}$. This has to be contrasted from the standard $1/T^2$ in Fermi liquids (neglecting additional logarithms and above all disorder). We furthermore study the Coulomb drag resistivity between two BLGs in the whole range from deep within the Fermi liquid regime all the way to the charge neutrality (CN) point. We find that in the Fermi liquid re…
We study the inter-valley scattering induced by the Coulomb repulsion as a purely electronic mechanism for the origin of superconductivity in few layers of graphene. The pairing is strongly favored by the presence of van Hove singularities (VHS's) in the density of states (DOS). We consider three different hetherostructures: twisted bilayer graphene (TBG), rhombohedral trilayer graphene (RTG) and Bernal bilayer graphene (BBG). We obtain trends and estimates of the superconducting (SC) critical temperature in agreement with the experimental findings, which might identify the inter-valley Coulom…
The ability to control the strength of interaction is essential for studying quantum phenomena emerging from a system of correlated fermions. For example, the isotope effect illustrates the effect of electron-phonon coupling on superconductivity, providing an important experimental support for the BCS theory. In this work, we report a new device geometry where the magic-angle twisted bilayer graphene (tBLG) is placed in close proximity to a Bernal bilayer graphene (BLG) separated by a 3 nm thick barrier. Using charge screening from the Bernal bilayer, the strength of electron-electron Coulomb …
We find exact analytic expressions for the energies and wavefunctions of the charged and neutral excitations above the exact ground states (at rational filling per unit cell) of projected Coulomb Hamiltonians in twisted bilayer graphene. Our exact expressions are valid for any form of the Coulomb interaction and any form of $AA$ and $AB/BA$ tunneling. The single charge excitation energy is a convolution of the Coulomb potential with a quantum geometric tensor of the TBG bands. The neutral excitations are (high-symmetry group) magnons, and their dispersion is analytically calculated in terms of…
We study effects of a repulsive Coulomb interaction on the spectral gap in monolayer and bilayer graphene in the vicinity of the charge neutrality point by employing the functional renormalization-group technique. In both cases Coulomb interaction supports the gap once it is open. For monolayer graphene we correctly reproduce results obtained previously by several authors, e.g., an apparent logarithmic divergence of the Fermi velocity and the gap as well as a fixed point corresponding to a quantum phase transition at infinitely large Coulomb interaction. On the other hand, we show that the gap…
We compute the Coulomb correction $\mathcal{C}$ to the a. c. conductivity of interacting massless Dirac particles in graphene in the collisionless limit using the polarization tensor approach in a regularization independent framework. Arbitrary parameters stemming from differences between logarithmically divergent integrals are fixed on physical grounds exploiting only spatial $O(2)$ rotational invariance of the model which amounts to transversality of the polarization tensor. Consequently $\mathcal{C}$ is unequivocally determined to be $(19- 6π)/12$ within this effective model. We compare our…
We compute the renormalization group flow of the long-ranged electron-electron interaction at the Gross-Neveu quantum critical point between the semimetal and the excitonic insulator in graphene, perturbatively in the small parameter $ε=d-1$, with $d$ as the spatial dimension. The $O(ε)$ correction to the usual beta-function makes the long-range interaction only more irrelevant at the critical than at the Gaussian fixed point. A weak long-range tail of the Coulomb interaction is found to be marginally irrelevant also in arbitrary dimension when the number of Dirac fermions is large. Its ultima…
We demonstrate that in the presence of Coulomb interactions, electrons in graphene behave like a critical system, supporting power law correlations with interaction-dependent exponents. An asymptotic analysis shows that the origin of this behavior lies in particle-hole scattering, for which the Coulomb interaction induces anomalously close approaches. With increasing interaction strength the relevant power law changes from real to complex, leading to an unusual instability characterized by a complex-valued susceptibility in the thermodynamic limit. Measurable quantities, as well as the connect…
We investigate the effect of on-site Coulomb repulsion $U$ on the band gap of the electrically gated bilayer graphene by employing coherent potential approximation in the paramagnetic state, based on an ionic two-layer Hubbard model. We find that, while either the on-site Coulomb repulsion $U$ or the external perpendicular electric field $E$ alone will favor a gapped state in the bilayer graphene, competition between them will surprisingly lead to a suppression of the gap amplitude. Our results can be applied to understand the discrepancies of gap size reported from optical and transport measu…
The polarizability of twisted bilayer graphene, due to the combined effect of electron-hole pairs, plasmons, and acoustic phonons is analyzed. The screened Coulomb interaction allows for the for- mation of Cooper pairs and superconductivity in a significant range of twist angles and fillings. The tendency toward superconductivity is enhanced by the coupling between longitudinal phonons and electron-hole pairs. Scattering processes involving large momentum transfers, Umklapp processes, play a crucial role in the formation of Cooper pairs. The magnitude of the superconducting gap changes among t…
First-principles density functional calculations for graphene and defected graphene are used to examine when the quasi-2D electrons near the Fermi energy in graphene could be represented by massless fermions obeying a Dirac-Weyl (DW) equation. The DW model is found to be inapplicable to defected graphene containing even $\sim$3% vacancies or N substitution. However, the DW model holds in the presence of weakly adsorbed molecular layers. The possibility of spin-polarized phases (SPP) of DW-massless fermions in pure graphene is considered. The exchange energy is evaluated from the analytic pair-…
In the low-energy two-band as well as four-band continuum models, we study the supercritical instability in gapped bilayer graphene in the field of a charged impurity. It is found that the screening effects are crucially important in bilayer graphene. If they are neglected, then the critical value for the impurity charge as the lowest-energy bound state dives into the lower continuum tends to zero as the gap $Δ$ vanishes. If the screened Coulomb interaction is considered, then the critical charge tends to a finite value for $Δ\to 0$. The different scalings of the kinetic energy of quasiparticl…
We consider the low energy effective field model of graphene monolayer. Coulomb interactions are taken into account. The model is simulated numerically using the lattice discretization with staggered fermions. The two point fermionic Green functions are calculated. We find that in the insulator phase these Green functions almost do not depend on energy. This indicates that the effective field model (in its insulator phase) does not correspond to the real graphene.
Low-energy electronic structure of (unbiased) bilayer graphene is made of two Fermi points with quadratic dispersions, if trigonal-warping and other high order contributions are ignored. We show that as a result of this qualitative difference from single-layer graphene, short-range (or screened Coulomb) interactions are marginally relevant. We use renormalization group to study their effects on low-energy properties of the system, and show that the two quadratic Fermi points spontaneously split into four Dirac points, at zero temperature. This results in a nematic state that spontaneously brea…
We analyze the phase diagram of twisted graphene bilayers near a magic angle. We consider the effect of the long range Coulomb interaction, treated within the self consistent Hartree-Fock approximation, and we study arbitrary band fillings. We find a rich phase diagram, with different broken symmetry phases, although tehy do not show necessarily a gap at the Fermi energy. There are non trivial effects of the electrostatic potential on the shape and the gaps of the bands in the broken symmetry phases. The results suggest that the non superconducting broken symmetry phases observed experimentall…
We address the problem of a Coulomb impurity in graphene in the presence of a perpendicular uniform magnetic field. We show that the problem can be solved below the supercritical impurity magnitude within the WKB approximation. Without impurity the semiclassical energies correctly reproduce the Landau level spectrum. For a given Landau level the WKB energy depends on the absolute value of angular momentum in a way which is consistent with the exact diagonalization result. Below the supercritical impurity magnitude, the WKB solution can be expanded as a convergent series in powers of the effect…
Phonon dispersions generically display non-analytic points, known as Kohn anomalies, due to electron-phonon interactions. We analyze this phenomenon for a zone boundary phonon in undoped graphene. When electron-electron interactions with coupling constant $β$ are taken into account, one observes behavior demonstrating that the electrons are in a critical phase: the phonon dispersion and lifetime develop power law behavior with $β$ dependent exponents. The observation of this signature would allow experimental access to the critical properties of the electron state, and would provide a measure …
Both insulating and conducting electronic behaviors have been experimentally seen in clean bilayer graphene samples at low temperature, and there is still no consensus on the nature of the interacting ground state at half-filling and in the absence of a magnetic field. Theoretically, several possibilities for the insulating ground states have been predicted for weak interaction strength. However, a recent renormalization-group calculation on a Hubbard model for charge-neutral bilayer graphene with short-range interactions suggests the emergence of low-energy Dirac fermions that would stabilize…
We study the presence of ferromagnetism in the phase diagram of the two-dimensional honeycomb lattice close to half-filling (graphene) as a function of the strength of the Coulomb interaction and doping. We show that exchange interactions between Dirac fermions can stabilize a ferromagnetic phase at low doping when the coupling is sufficiently large. In clean systems, the zero temperature phase diagram shows both first order and second order transition lines and two distinct ferromagnetic phases: one phase with only one type of carriers (either electrons or holes) and another with two types of…
We report on Hybrid-Monte-Carlo simulations of the tight-binding model with long-range Coulomb interactions for the electronic properties of graphene. We investigate the spontaneous breaking of sublattice symmetry corresponding to a transition from the semimetal to an antiferromagnetic insulating phase. Our short-range interactions thereby include the partial screening due to electrons in higher energy states from ab initio calculations based on the constrained random phase approximation [T.O.Wehling {\it et al.}, Phys.Rev.Lett.{\bf 106}, 236805 (2011)]. In contrast to a similar previous Monte…
Motivated by the physics of graphene, we consider a model of N species of 2+1 dimensional four-component massless Dirac fermions interacting through a 3D instantaneous Coulomb interaction. We show that in the limit of infinitely strong Coulomb interaction the system approaches a quantum critical point, at least for sufficiently large fermion degeneracy. In this regime the system exhibits invariance under scale transformations in which time and space scale by different factors. The elementary excitations are fermions with dispersion relation omega ~ p^z, where the dynamic critical exponent z de…
This paper is devoted to development of perturbation theory for studying the properties of graphene sheet of finite size, at nonzero temperature and chemical potential. The perturbation theory is based on the tight-binding Hamiltonian and arbitrary interaction potential between electrons, which is considered as a perturbation. One-loop corrections to the electron propagator and to the interaction potential at nonzero temperature and chemical potential are calculated. One-loop formulas for the energy spectrum of electrons in graphene, for the renormalized Fermi velocity and also for the dielect…
We consider the problem of screening of an electrically charged impurity in a clean graphene sheet. When electron-electron interactions are neglected, the screening charge has a sign opposite to that of the impurity, and is localized near the impurity. Interactions between electrons smear out the induced charge density to give a large-distance tail that follows approximately, but not exactly, an r^{-2} behavior and with a sign which is the same as that of the impurity.
