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
Using first-principles techniques, we calculate the renormalization of the electron Fermi velocity and the vibrational lifetimes arising from electron-phonon interactions in doped bilayer graphene and in graphite and compare the results with the corresponding quantities in graphene. For similar levels of doping, the Fermi velocity renormalization in bilayer graphene and in graphite is found to be approximately 30% larger than that in graphene. In the case of bilayer graphene, this difference is shown to arise from the interlayer interaction. We discuss our findings in the light of recent photo…
Effect of electric field on the band structures of graphene/BN and BN/BN bilayers is investigated within the framework of density functional theory. A relatively large degree of modulation is predicted for the graphene/BN bilayer. The calculated band gap of the graphene/BN bilayer increases with applied electric field, which is not the case of BN/BN bilayer; its band gap decreases with the applied field. Both features in the bilayers considered appear to be related to the nature of the conduction band and the redistribution of the electronic charge of the bilayer systems under the influence of…
The chemical modification of graphene with adatoms is of importance for nanoelectronics applications. Based on first-principles density-functional theory calculations with including van der Waals interactions, we present a comparative study of the diffusion characteristics of oxygen (O) and fluorine (F) atoms both on graphene and between the layers of bilayer graphene. We find that O and F atoms have lower binding energies between the layers of bilayer graphene compared to on graphene. Interestingly, the calculated diffusion barrier for the O atom slightly increases from 0.81 eV on graphene to…
We calculate thermopower of clean and impure bilayer graphene systems. Opening a band gap through the application of an external electric field is shown to greatly enhance the thermopower of bilayer graphene, which is more than four times that of the monolayer graphene and gapless bilayer graphene at room temperature. The effect of scattering by dilute charged impurities is discussed in terms of the self-consistent Born approximation. Temperature dependence of the thermopower is also analyzed.
A cheap and flexible method is introduced that enables the epitaxial growth of bilayer graphene on Pt(111) by sequential chemical vapour deposition. Extended regions of two stacked graphene sheets are obtained by, first, the thermal decomposition of ethylene and the subsequent formation of graphene. In the second step, a sufficiently thick Pt film buries the first graphene layer and acts as a platform for the fabrication of the second graphene layer in the third step. A final annealing process then leads to the diffusion of the first graphene sheet to the surface until the bilayer stacking wit…
Low-frequency 1/f noise is ubiquitous, and dominates the signal-to-noise performance in nanodevices. Here we investigate the noise characteristics of single-layer and bilayer graphene nano-devices, and uncover an unexpected 1/f noise behavior for bilayer devices. Graphene is a single layer of graphite, where carbon atoms form a 2D honeycomb lattice. Despite the similar composition, bilayer graphene (two graphene monolayers stacked in the natural graphite order) is a distinct 2D system with a different band structure and electrical properties. In graphene monolayers, the 1/f noise is found to f…
We present first-principles calculations of many-electron effects on the optical response of graphene, bilayer graphene, and graphite employing the GW-Bethe Salpeter equation approach. We find that resonant excitons are formed in these two-dimensional semimetals. The resonant excitons give rise to a prominent peak in the absorption spectrum near 4.5 eV with a different line shape and significantly redshifted peak position from those of an absorption peak arising from interband transitions in an independent quasiparticle picture. In the infrared regime, our calculated optical absorbance per gra…
We derive a gap equation for bilayer excitonic systems based on density functional theory and benchmark our results against quantum Monte-Carlo simulations and recent experiments on double bilayer graphene. The gap equation has a mean-field form but includes a consistent treatment of dynamical screening. We show that the gap survives at much higher densities than previously thought from mean-field estimates which gives strong indications that the double-bilayer graphene systems at zero magnetic field can be used as model systems to investigate the BCS-BEC crossover. Furthermore, we show that J…
We report the transport properties of monolayer and bilayer graphene from first principles calculations and Boltzmann transport theory (BTE). Our resistivity studies on monolayer graphene show Bloch-Gr${\rm \ddot{u}}$neisen behavior in a certain range of chemical potentials. By substituting boron nitride in place of a carbon dimer of graphene, we predict a twofold increase in the Seebeck coefficient. A similar increase in the Seebeck coefficient for bilayer graphene under the influence of a small electric field $\sim 0.3$ eV has been observed in our calculations. Graphene with impurities shows…
In this paper we propose a mechanism for the induction of energy gaps in the spectrum of graphene and its bilayer, when both these materials are covered with water and ammonia molecules. The energy gaps obtained are within the range 20-30 meV, values compatible to those found in experimental studies of graphene bilayer. We further show that the binding energies are large enough for the adsorption of the molecules to be maintained even at room temperature.
A nano-stitching method is proposed and investigated to modify graphene bilayers. Based this method, four types of low energy carbon allotropes, "wormhole graphene" allotropoes, are obtained and their structures, stabilities and electronic properties are investigated using first principles methods. We find that all of these wormhole graphene allotropoes are more favorable than graphdiyne and dynamically stable. Similar to carbon nanotubes and fullerences, these graphene allotropes are expected to act as two-dimensional periodic nano-capsules for encapsulating magnetic atoms or functional clust…
In this paper, a real-space analytical expression for the free Green's function (propagator) of bilayer graphene is derived based on the effective-mass approximation. Green's function displays highly spatial anisotropy with three-fold rotational symmetry. The calculated local density of states (LDOS) of a perfect bilayer graphene produces the main features of the observed scanning tunneling microscopy (STM) images of graphite at low bias voltage. Some predicted features of the LDOS can be verified by STM measurements. In addition, we also calculate the LDOS of bilayer graphene with vacancies b…
We have investigated the atomic structure of superconducting Ca-intercalated bilayer graphene on a SiC(0001) substrate using total-reflection high-energy positron diffraction. By comparing the experimental rocking-curves with ones calculated for various structural models using a full-dynamical theory, we have found that Ca atoms are intercalated in the graphene-buffer interlayer, rather than between the two graphene layers. From transport measurements, the superconducting transition was observed to be at Tc_onset = 4K for this structure. This study is the first to clearly identify the relation…
The unique property of bilayer graphene to show a band gap tunable by external electrical fields enables a variety of different device concepts with novel functionalities for electronic, optoelectronic and sensor applications. So far the operation of bilayer graphene based field effect transistors requires two individual gates to vary the channel's conductance and to create a band gap. In this paper we report on a method to increase the on/off ratio in single gated bilayer graphene field effect transistors by adsorbate doping. The adsorbate dopants on the upper side of the graphene establish a…
The folding of monolayer graphene leads to new layered systems, termed twisted bilayer graphene (TBG), generally displaying a certain interlayer rotation away from crystallographic alignment. We here present an atomic force microscopy study on folded graphene, revealing unexpectedly large twist angle dependent modulations of ~3 angstrom in interlayer distance. At the TBG surface, we find enhanced friction attributable to superlubricity in between incommensurate layers. At the bended edge, the radius of curvature scales with the folded length, congruent to earlier studies on carbon nanotubes.
We present a theory of spatially indirect exciton condensate states in systems composed of a pair of electrically isolated Bernal graphene bilayers. The ground state phase diagram in a two-dimensional displacement-field/inter-bilayer-bias space includes layer-polarized semiconductors, spin-density-wave states, exciton condensates, and states with mixed excitonic and spin order. We find that two different condensate states, distinguished by a chirality index, are stable under different electrical control conditions.
We study the electronic properties of h-BN/graphene/h-BN ABC-stacked trilayer systems using tight binding and DFT methods. We comment on the recent work of Ramasubramaniam et al. (arxiv:1011.2489) whose results seem to be in disagreement with our recent calculations. Detailed analysis reaffirms our previous conclusions.
In this article, based on first-principles calculations, we systematically study functionalization induced diamonization of graphene bilayer and graphene-BN hybrid bilayer. With single-side functionalization, the diamondized structures are magnetic semiconductor. Interestingly, if both sides of the bilayer are functionalized, diamondization becomes spontaneous without a barrier. On the other hand, when the bottom layer of the bilayer graphene is replaced by a single hexagonal BN layer, the diamondized structure becomes nonmagnetic metal. The tunable electronic and magnetic properties pave new …
The Raman shift, broadening, and relative Raman intensities of bilayer graphene are computed as functions of the electron concentration. We include dynamic effects for the phonon frequencies and we consider the gap induced in the band structure of bilayer graphene by an external electric field. We show that from the analysis of the Raman spectra of gated bilayer graphene it is possible to quantitatively identify the amount of charges coming from the atmosphere and from the substrate. These findings suggest that Raman spectroscopy of bilayer graphene can be used to characterize the electrostati…
The discovery of electric field induced bandgap opening in bilayer graphene opens new door for making semiconducting graphene without aggressive size scaling or using expensive substrates. However, bilayer graphene samples have been limited to um size scale thus far, and synthesis of wafer scale bilayer graphene posts tremendous challenge. Here we report homogeneous bilayer graphene films over at least 2 inch x 2 inch area, synthesized by chemical vapor deposition on copper foil and subsequently transferred to arbitrary substrates. The bilayer nature of graphene film is verified by Raman spect…
Using first-principles calculations, we study the structural and electronic properties of the bilayer SnS/graphene, bilayer SnS/bilayer graphene (AA-stacked), bilayer SnS/bilayer graphene (AB-stacked) and monolayer SnS/graphene/monolayer SnS van der Waals (vdW) heterostructures. Electronic properties of all components of the vdW heterostructures are well preserved, which reflects the weakness of the vdW interaction. In the cases of bilayer SnS/graphene and bilayer SnS/bilayer graphene (AA-stacked), an Ohmic contact is formed which can be turned first into p-type and then into n-type Schottky c…
We have studied the phonon specific heat in single-layer, bilayer and twisted bilayer graphene. The calculations were performed using the Born-von Karman model of lattice dynamics for intralayer atomic interactions and spherically symmetric interatomic potential for interlayer interactions. We found that at temperature T<15 K, specific heat varies with temperature as T^n, where n = 1 for graphene, n = 1.6 for bilayer graphene and n = 1.3 for the twisted bilayer graphene. The phonon specific heat reveals an intriguing dependence on the twist angle in bilayer graphene, which is particularly pron…
We have found that the Berry phase of bilayer graphene becomes from 2$π$ estimated by Shubnikov-de Haas oscillations when the A-B stacked pristine bilayer graphene experiences the Li-intercalation and sequential Li-desorption process in ultrahigh vacuum. Furthermore, the mobility of such processed bilayer graphene increases around four times larger, ~ 8,000 cm2/V$\cdot$s, than that of the pristine bilayer graphene. This is mainly due to increment of the scattering time and decrement of the cyclotron mass, which can be interpreted as a result of the change of the stacking structure of bilayer g…
We investigate band-gap tuning of bilayer graphene between hexagonal boron nitride sheets, by external electric fields. Using density functional theory, we show that the gap is continuously tunable from 0 to 0.2 eV, and is robust to stacking disorder. Moreover, boron nitride sheets do not alter the fundamental response from that of free-standing bilayer graphene, apart from additional screening. The calculations suggest that the graphene-boron nitride heterostructures could provide a viable route to graphene-based electronic devices.
We study the mid-infrared plasmonic response in Bernal-stacked bilayer graphene. Unlike its monolayer counterpart, bilayer graphene accommodates optically active phonon modes and a resonant interband transition at infrared frequencies. They strongly modifies the plasmonic properties of bilayer graphene, leading to Fano-type resonances, giant plasmonic enhancement of infrared phonon absorption, narrow window of optical transparency, and a new plasmonic mode at higher energy than the classical plasmon.
Since its discovery, Berry phase has been demonstrated to play an important role in many quantum systems. In gapped Bernal bilayer graphene, the Berry phase can be continuously tuned from zero to 2pi, which offers a unique opportunity to explore the tunable Berry phase on the physical phenomena. Here, we report experimental observation of Berry phases-induced valley splitting and crossing in moveable bilayer graphene p-n junction resonators. In our experiment, the bilayer graphene resonators are generated by combining the electric field of scanning tunneling microscope tip with the gap of bila…
A perpendicular electric field breaks the layer symmetry of Bernal-stacked bilayer graphene, resulting in the opening of a band gap and a modification of the effective mass of the charge carriers. Using scanning tunneling microscopy and spectroscopy, we examine standing waves in the local density of states of bilayer graphene formed by scattering from a bilayer/trilayer boundary. The quasiparticle interference properties are controlled by the bilayer graphene band structure, allowing a direct local probe of the evolution of the band structure of bilayer graphene as a function of electric field…
We derive core-level spectra for doped free-standing bilayer graphene. Numerical results are presented for all nine combinations of the doping concentrations $10^{12}\rm{cm}^{-2}$, $10^{13}\rm{cm}^{-2}$, and $10^{14}\rm{cm}^{-2}$ in the two graphene sheets and we compare the results to the reference spectra for monolayer graphene. We furthermore discuss the spectrum of single-particle inter-band and intra-band excitations in the $ωq$-plane, and show how the dispersion curves of the collective modes are modified in the bilayer system.
We investigate the atomic-scale tunneling characteristics of bilayer graphene on silicon carbide using the scanning tunneling microscopy. The high-resolution tunneling spectroscopy reveals an unexpected negative differential resistance (NDR) at the Dirac energy, which spatially varies within the single unit cell of bilayer graphene. The origin of NDR is explained by two near-gap van Hove singularities emerging in the electronic spectrum of bilayer graphene under a transverse electric field, which are strongly localized on two sublattices in different layers. Furthermore, defects near the tunne…
Bilayer graphene contains, compared to graphene monolayer, an additional graphene sheet and, therefore, extra degrees of freedom, making it a unique system for complex electronic states to emerge. Here, we show that there are two types of domain walls, i.e., coupling domain wall and potential domain wall, in gapped graphene bilayers, which make microscopic electronic properties of the bilayers varying spatially. The coupling domain wall separates two graphene bilayer regions with different interlayer coupling strengths and the potential domain wall is a boundary separating two adjacent regions…
Theory of scattering of massive chiral fermions in bilayer graphene by radial symmetric potential is developed. It is shown that in the case when the electron wavelength is much larger than the radius of the potential the scattering cross-section is proportional to the electron wavelength. This leads to the mobility independent on the electron concentration. In contrast with the case of single-layer, neutral and charged defects are, in general, equally relevant for the resistivity of the bilayer graphene.
We analyze the response of bilayer graphene to an external transverse electric field using a variational method. A previous attempt to do so in a recent paper by Falkovsky [Phys. Rev. B 80, 113413 (2009)] is shown to be flawed. Our calculation reaffirms the original results obtained by one of us [E. McCann, Phys. Rev. B 74, 161403(R) (2006)] by a different method. Finally, we generalize these original results to describe a dual-gated bilayer graphene device.
We develop a theory for density, disorder, and temperature dependent electrical conductivity of bilayer graphene in the presence of long-range charged impurity scattering as well as an additional short-range disorder of independent origin, establishing that both scattering mechanisms contribute significantly to determining bilayer transport properties. We find that although strong screening properties of bilayer graphene lead to qualitative differences with the corresponding single layer situation, both systems exhibit the linearly density dependent conductivity at high density and the minimum…
Bilayer graphene is a promising material for radio-frequency transistors because its energy gap might result in a better current saturation than the monolayer graphene. Because the great deal of interest in this technology, especially for flexible radio-frequency applications, gaining control of it requires the formulation of appropriate models for the drain current, charge and capacitance. In this work we have developed them for a dual-gated bilayer graphene field-effect transistor. A drift-diffusion mechanism for the carrier transport has been considered coupled with an appropriate field-eff…
We theoretically investigated phonon dispersion in AA-stacked, AB-stacked and twisted bilayer graphene with various rotation angles. The calculations were performed using the Born-von-Karman model for the intra-layer atomic interactions and the Lennard-Jones potential for the inter-layer interactions. It was found that the stacking order affects the out-of-plane acoustic phonon modes the most. The difference in the phonon densities of states in the twisted bilayer graphene and in AA- or AB-stacked bilayer graphene appears in the phonon frequencies range 90 - 110 1/cm. Twisting bilayer graphene…
The electronic structure of bilayer graphene is investigated from a resonant Raman study using different laser excitation energies. The values of the parameters of the Slonczewski-Weiss-McClure model for graphite are measured experimentally and some of them differ significantly from those reported previously for graphite, specially that associated with the difference of the effective mass of electrons and holes. The splitting of the two TO phonon branches in bilayer graphene is also obtained from the experimental data. Our results have implications for bilayer graphene electronic devices.
The electronic structure of the zig-zag bilayer strip is analyzed. The electronic spectra of the bilayer strip is computed. The dependence of the edge state band flatness on the bilayer width is found. The density of states at the Fermi level is analytically computed. It is shown that it has the singularity which depends on the width of the bilayer strip. There is also asymmetry in the density of states below and above the Fermi energy.
We consider the excitonic effects on the thermal properties in the AB-stacked bilayer graphene. The calculations are based on the bilayer generalization of the usual Hubbard model at the half-filling. The full interaction bandwidth is used without any low-energy assumption. We obtain the unusually high values for the electronic figure of merit even at the room-temperatures which is very promising for the thermoelectric applications of the AB-bilayer structure. We discuss the effects of the interlayer Coulomb interaction and temperature on different thermal parameters in the bilayer graphene an…
Klein tunneling in gapless bilayer graphene, perfect reflection of electrons injecting normal to a pn junction, is expected to disappear in the presence of energy band gap induced by external gates. We theoretically show that the Klein effect still exists in gapped bilayer graphene, provided that the gaps in the n and p regions are balanced such that the polarization of electron pseudospin has the same normal component to the bilayer plane in the regions. We attribute the Klein effect to Berry phase $π$ (rather than the conventional value $2 π$ of bilayer graphene) and to electron-hole and tim…
Based on ab initio calculations, we study the effect of intercalating twisted bilayer graphene with carbon. Surprisingly, we find that the intercalant pulls the atoms in the two layers closer together locally when placed in certain regions in between the layers, and the process is energetically favorable as well. This arises because in these regions of the supercell, the local environment allows the intercalant to form tetrahedral bonding with nearest atoms in the layers. Intercalating AB- or AA-bilayer graphene with carbon does not produce this effect; therefore, the nontrivial effect owes it…
The screening properties and collective excitations (plasmons) in AA-stacked bilayer graphene are studied within the random phase approximation (RPA). Whereas long lived plasmons in single layer graphene and in AB-stacked bilayer graphene can exist only in doped samples, we find that coherent plasmons can disperse in AA-stacked bilayer graphene {\it even in the absence of doping}. Moreover, we show that the characteristic low energy dispersion relation is unaffected by changes in the number of carriers, unless the chemical potential of the doped sample exceeds the inter-layer hopping energy. W…
Using the first principles calculations, we show that mechanically tunable electronic energy gap is realizable in bilayer graphene if different homogeneous strains are applied to the two layers. It is shown that the size of energy gap can be simply controlled by adjusting the strength and direction of these strains. We also show that the effect originates from the occurrence of strain-induced pseudo-scalar potentials in graphene. When homogeneous strains with different strengths are applied to each layer of bilayer graphene, transverse electric fields across the two layers can be generated wit…
The perfect transmission in graphene monolayer and the perfect reflection in Bernal graphene bilayer for electrons incident in the normal direction of a potential barrier are viewed as two incarnations of the Klein paradox. Here we show a new and unique incarnation of the Klein paradox. Owing to the different chiralities of the quasiparticles involved, the chiral fermions in twisted graphene bilayer shows adjustable probability of chiral tunnelling for normal incidence: they can be changed from perfect tunnelling to partial/perfect reflection, or vice versa, by controlling either the height of…
We consider the electronic structure of a slightly twisted graphene bilayer and show the coexistence of van Hove singularities (VHSs) and superlattice Dirac points in a continuum approximation. The graphene-on-graphene moiré pattern gives rise to a periodic electronic potential, which leads to the emergence of the superlattice Dirac points due to the chiral nature of the charge carriers. Owning to the distinguishing real and reciprocal structures, the sublattice exchange even and odd structures of the twisted graphene bilayer (the two types of commensurate structures) result in two different s…
A fully selfconsistent treatment for gap generation and Coulomb screening in excitonic insulators is presented. The method is based on the equations of motion for the relevant dynamical variables combined with a variational approach. Applying the theory for a model system of bilayer graphene, an excitonic groundstate with a gap exceeding 10 meV is predicted.
The interlayer coupling of twisted bilayer graphene could markedly affect its electronic band structure. A current challenge required to overcome in experiment is how to precisely control the coupling and therefore tune the electronic properties of the bilayer graphene. Here, we describe a facile method to modulate the local interlayer coupling by adsorption of single molecule magnets onto the twisted bilayer graphene and report the characterization of its electronic band structure using scanning tunneling microscopy and spectroscopy. The low-energy Van Hove singularities (VHSs) and superlatti…
We examine the magnetic properties of the localized states induced by lattice vacancies in bilayer graphene with an unrestricted Hartree-Fock calculation. We show that with realistic values of the parameters and for experimentally accessible gate voltages we can have a magnetic switching between an unpolarized and a fully polarized system.
We demonstrate a new technique for creating unique forms of pure sp2-bonded carbon and unprecedented hetero-molecules. These new structures, which we refer to as sculpturenes, are formed by sculpting selected shapes from bilayer graphene, hetero-bilayers or multi-layered materials and allowing the shapes to spontaneously reconstruct. The simplest sculpturene is topologically equivalent to a torus, with dimensions comparable to those of fullerenes. The topology of these new molecular structures is stable against atomic scale defects.
Atomic defects have a significant impact in the low-energy properties of graphene systems. By means of first-principles calculations and tight-binding models we provide evidence that chemical impurities modify both the normal and the superconducting states of twisted bilayer graphene. A single hydrogen atom attached to the bilayer surface yields a triple-point crossing, whereas self-doping and three-fold symmetry-breaking are created by a vacant site. Both types of defects lead to time-reversal symmetry-breaking and the creation of local magnetic moments. Hydrogen-induced magnetism is found to…
The phonon dispersions of monolayer and few-layer graphene (AB bilayer, ABA and ABC trilayers) are investigated using the density-functional perturbation theory (DFPT). Compared with the monolayer, the optical phonon $E_{2g}$ mode at $Γ$ splits into two and three doubly degenerate branches for bilayer and trilayer graphene, respectively, due to the weak interlayer coupling. These modes are of various symmetry and exhibit different sensitivity to either Raman or infrared (IR) measurements (or both). The splitting is found to be 5 cm$^{-1}$ for bilayer and 2 to 5 cm$^{-1}$ for trilayer graphene.…
We present an ab-initio density function theory to investigate the electronic and magnetic structures of the bilayer graphene with intercalated atoms C, N, and O. The intercalated atom although initially positioned at the middle site of the bilayer interval will finally be adsorbed to one graphene layer. Both N and O atoms favor the bridge site (i.e. above the carbon-carbon bonding of the lower graphene layer), while the C atom prefers the hollow site (i.e. just above a carbon atom of the lower graphene layer and simultaneously below the center of a carbon hexagon of the upper layer). Concerni…
We investigate the electronic transport properties of a bilayer graphene flake contacted by two monolayer nanoribbons. Such a finite-size bilayer flake can be built by overlapping two semiinfinite ribbons or by depositing a monolayer flake onto an infinite nanoribbon. These two structures have a complementary behavior, that we study and analyze by means of a tight-binding method and a continuum Dirac model. We have found that for certain energy ranges and geometries, the conductance of these systems oscillates markedly between zero and the maximum value of the conductance, allowing for the des…
We examine the quantum Hall effect in bilayer graphene grown on Cu substrates by chemical vapor deposition. Spatially resolved Raman spectroscopy suggests a mixture of Bernal (A-B) stacked and rotationally faulted (twisted) domains. Magnetotransport measurements performed on bilayer domains with a wide 2D band reveal quantum Hall states (QHSs) at filling factors $ν=4, 8, 12$ consistent with a Bernal stacked bilayer, while magnetotransport measurements in bilayer domains defined by a narrow 2D band show a superposition of QHSs of two independent monolayers. The analysis of the Shubnikov-de Haas…
Graphene intercalation materials are potentially promising for the implementation of the ultra-low power, excitonic-condensate-based Bilayer pseudoSpin Field-Effect Transistor (BiSFET) concept, as well as other novel device concepts requiring a graphene interlayer dielectric. Using density functional theory (DFT) we study the structural and electronic properties of bilayer graphene intercalated with iodine monochloride (ICl) and iodine monobromide (IBr). We determine the structural configuration of ICl and IBr graphene intercalation compounds (GICs). We also conduct an in-depth exploration of …
Here we report from our theoretical studies that in biased bilayer graphene, one can induce phase transitions from an incompressible state to a compressible state by tuning the bandgap at a given electron density. Likewise, variation of the density with a fixed bandgap results in a transition from the FQHE states at lower Landau levels to compressible states at intermediate Landau levels and finally to FQHE states at higher Landau levels. This intriguing scenario of tunable phase transitions in the fractional quantum Hall states is unique to bilayer graphene and never before existed in convent…
Bilayer graphene is susceptible to a family of unusual broken symmetry states with spin and valley dependent layer polarization. We report on a microscopic study of the domain walls in these systems, demonstrating that they have interesting microscopic structures related to order-induced topological characters. We use our results to estimate Ginzburg-Landau model parameters and transition temperatures for the ordered states of bilayer graphene.
High-harmonic generation (HHG) in solids is an emerging method to probe ultrafast electron dynamics in solids at attosecond timescale. In this work, we study HHG from monolayer and bilayer graphene. Bilayer graphenes with AA and AB stacking are considered in this work. It is found that the monolayer and bilayer graphenes exhibit significantly different harmonic spectra. The difference in the spectra is attributed to the interlayer coupling between the two layers. Also, the intraband and interband contributions to the total harmonic spectrum play a significant role. Moreover, interesting polari…
