The particle-hole excitation spectrum for doped graphene is calculated from the dynamical polarizability. We study the zero and finite magnetic field cases and compare them to the standard two-dimensional electron gas. The effects of electron-electron interaction are included within the random phase approximation. From the obtained polarizability, we study the screening effects and the collective excitations (plasmon, magneto-excitons, upper-hybrid mode and linear magneto-plasmons). We stress the differences with the usual 2DEG.
The electronic transport properties of graphene-based superlattice structures are investigated. A graphene-based modulation-doped superlattice structure geometry is proposed and consist of periodically arranged alternate layers: InAs/graphene/GaAs/graphene/GaSb. Undoped graphene/GaAs/graphene structure displays relatively high conductance and enhanced mobilities at elevated temperatures unlike modulation-doped superlattice structure more steady and less sensitive to temperature and robust electrical tunable control on the screening length scale. Thermionic current density exhibits enhanced beh…
Adsorption of molecular oxygen on B-, N-, Al-, Si-, P-, Cr- and Mn-doped graphene is theoretically studied using density functional theory in order to clarify if O2 can change the possibility of using doped graphene for gas sensors, electronic and spintronic devices. O2 is physisorbed on B-, and Ndoped graphene with small adsorption energy and long distance from the graphene plane, indicating the oxidation will not happen; chemisorption is observed on Al-, Si-, P-, Cr- and Mn-doped graphene. The local curvature caused by the large bond length of X-C (X represents the dopants) relative to CC bo…
Electronic transport properties in armchair shaped edges graphene nanoribbons (AGNRs) doped various impurities have been simulated by the non-equilibrium Green's function approach combined with the first principle calculation based on the density functional theory. We have observed that impurity levels appear in electronic struc-tures, and that the quantization of transmission function is moderated for doped AGNRs. The I-V characteristic can be computed from the transmission function. Our simulation results show that AGNRs doped impurities have higher conductance than the non-doped one.
The characteristics of tunnel junctions formed between n- and p-doped graphene are investigated theoretically. The single-particle tunnel current that flows between the two-dimensional electronic states of the graphene (2D-2D tunneling) is evaluated. At a voltage bias such that the Dirac points of the two electrodes are aligned, a large resonant current peak is produced. The magnitude and width of this peak is computed, and its use for devices is discussed. The influence of both rotational alignment of the graphene electrodes and structural perfection of the graphene is discussed.
A specific structure of doped graphene with substituted silicon impurity is introduced and ab. initio density-functional approach is applied for energy band structure calculation of proposed structure. Using the band structure calculation for different silicon sites in the host graphene, the effect of silicon concentration and unit cell geometry on the bandgap of the proposed structure is also investigated. Chemically silicon doped graphene results in an energy gap as large as 2eV according to DFT calculations. As we will show, in contrast to previous bandgap engineering methods, such structur…
The interband and intraband conductivities of doped graphene were theoretically investigated beyond the linear response. The new dependences of induced currents on frequency and amplitude of external electric field, the graphene temperature and chemical potential were determined for sufficiently strong electric fields in the resonant approximation. Particularly, the saturation of induced currents and the non-linear increase of optical transparency with wave intensity growth were obtained for arbitrary temperatures and doped situation. As contrasted to increase for the interband transitions at …
We present a calculation of the quasiparticle decay rate due to electron-electron interactions in a doped graphene sheet. In particular, we emphasize subtle differences between the perturbative calculation of this quantity in a doped graphene sheet and the corresponding one in ordinary parabolic-band two-dimensional (2D) electron liquids. In the random phase approximation, dynamical overscreening near the light cone yields a universal quasiparticle lifetime, which is independent of the dielectric environment surrounding the 2D massless Dirac fermion fluid.
We demonstrate that charge density wave (CDW) phase transition occurs on the surface of electronically doped multilayer graphene when the Fermi level approaches the M points (also known as van Hove singularities where the density of states diverge) in the Brillouin zone of graphene band structure. The occurrence of such CDW phase transitions are supported by both the electrical transport measurement and optical measurements in electrostatically doped multilayer graphene. The CDW transition is accompanied with the sudden change of graphene channel resistance at T$_m$= 100K, as well as the split…
The orbital magnetic susceptibility (OMS) of a gas of noninteracting massless Dirac fermions is zero when the Fermi energy is away from the Dirac point. Making use of diagrammatic perturbation theory, we calculate exactly the OMS of massless Dirac fermions to first order in the Coulomb interaction demonstrating that it is finite and positive. Doped graphene sheets are thus unique systems in which the OMS is completely controlled by many-body effects.
Coupling of plasmons in graphene at terahert (THz) frequencies with surface plasmons in a heavily-doped substrate is studied theoretically. We reveal that a huge scattering rate may completely damp out the plasmons, so that proper choices of material and geometrical parameters are essential to suppress the coupling effect and to obtain the minimum damping rate in graphene. Even with the doping concentration 10^{19} - 10^{20} cm^{-3} and the thickness of the dielectric layer between graphene and the substrate 100 nm, which are typical values in real graphene samples with a heavily-doped substra…
Thermoelectric properties of Graphene Nanoribbons doped by magnetic impurities Fe and Co are carried out in room temperature. We report on a study of the band structure dependent properties such as electrical conductivity, charge of carriers and Seebeck coefficients. We investigate the thermoelectric properties using the Semi-classical Boltzmann method. The electronic band structure of doped nanoribbons are evaluated by using density-functional theory in which the Hubbard interaction is considered. In this work we compare the different types of the nanoribbons and their thermoelectric features…
We demonstrate ultra-sharp (${\lesssim}\,10\text{ nm}$) lateral $p\text{-}n$ junctions in graphene using electronic transport, scanning tunneling microscopy, and first principles calculations. The $p\text{-}n$ junction lies at the boundary between differentially-doped regions of a graphene sheet, where one side is intrinsic and the other is charge-doped by proximity to a flake of $α$-RuCl$_3$ across a thin insulating barrier. We extract the $p\text{-}n$ junction contribution to the device resistance to place bounds on the junction width. We achieve an ultra-sharp junction when the boundary bet…
Generating spintronic devices has been a goal for the nano-science. We have used density function theory to determine magnetic phases of single layer and bilayer lithium doped graphene nanoflakes. We have introduced graphene flakes as single molecular magnets, spin on/off switches and spintronic memory devices. To aim this goal, adsorption energies, spin polarizations, electronic gaps, magnetic properties and robustness of spin-polarized states have been studied in the presence of dopants and second layers. We find that for bilayer SMMs with two layers of different sizes the highest occupied m…
We investigate the ballistic electron transport in a monolayer graphene with configurational averaged impurities, located between two clean graphene leads. It is shown that the electron transmission are strongly dependent on the concentration of impurities and the incident energy. In turn, the conductance computed using the Landauer formalism shows a similar behavior to those found in experimental works as a function of the applied voltage for different concentrations of impurities in the limit of low temperatures. In the limit of zero bias voltage, the conductance shows a minimum value which …
In this study, the Optical conductivity of substitutionary doped graphene is investigated in presence of the Rashba spin orbit coupling (RSOC). Calculations have been performed within the coherent potential approximation (CPA) beyond the Dirac cone approximation. Results of the current study demonstrate that the optical conductivity is increased by increasing the RSOC strength. Meanwhile it was observed that the anisotropy of the band energy results in a considerable anisotropic optical conductivity (AOC) in monolayer graphene. The sign and magnitude of this anisotropic conductivity was shown …
We present a theory of the influence of band renormalization and excitonic electron-electron interaction effects on the optical conductivity $σ(ω)$ of doped bilayer graphene. Using the Keldysh formalism, we derive a kinetic equation from which we extract numerical and approximate analytic results for $σ(ω)$. Our calculations reveal a previously unrecognized mechanism which couples the Drude and interband response and renormalizes the plasmon frequency, and suggest that screening must play an essential role in explaining the weakly renormalized conductivity seen in recent experiments.
In spin-polarized itinerant electron systems, collective spin-wave modes arise from dynamical exchange and correlation (xc) effects. We here consider spin waves in doped paramagnetic graphene with adjustable Zeeman-type band splitting. The spin waves are described using time-dependent spin-density-functional response theory, treating dynamical xc effects within the Slater and Singwi-Tosi-Land-Sjolander approximations. We obtain spin-wave dispersions and spin stiffnesses as a function of doping and spin polarization, and discuss prospects for their experimental observation.
For the first time, we have observed the obvious triple G peak splitting of ABA stacked trilayer graphene. The G peak splitting can be quantatively understood through the different electron-phonon coupling strength of Ea', Eb' and Ea" modes. In addition, the fluctuation of G peak position at different sample locations can also be understood from the view of the varied interaction strength among graphene layers of TLG, which is induced by nonuniform hole doping at the microscopic level.
The quantum capacitance model is applied to obtain an exact solution for the space-resolved carrier density in a multigated doped graphene sheet at zero temperature, with quantum correction arising from the finite electron capacity of the graphene itself taken into account. The exact solution is demonstrated to be equivalent to the self-consistent Poisson-Dirac iteration method by showing an illustrative example, where multiple gates with irregular shapes and a nonuniform dopant concentration are considered. The solution therefore provides a fast and accurate way to compute spatially varying c…
Owing to its two dimensional electronic structure, graphene exhibits many unique properties. One of them is a wave vector and temperature dependent plasmon in the infrared range. Theory predicts that due to these plasmons, graphene can be used as a universal material to enhance nanoscale radiative heat exchange for any dielectric substrate. Here we report on radiative heat transfer experiments between SiC and a SiO2 sphere which have non matching phonon polariton frequencies, and thus only weakly exchange heat in near field. We observed that the heat flux contribution of graphene epitaxially g…
We study the instability of the metallic state towards the formation of a new ground state in graphene doped near the van Hove singularity. The system is described by the Hubbard model and a field theoretical approach is used to calculate the charge and spin susceptibility. We find that for repulsive interactions, within the random phase approximation, there is a competition between ferromagnetism and spin-density wave (SDW). It turns out that a SDW with a triangular geometry is more favorable when the Hubbard parameter is above the critical value U_c(T), which depends on the temperature T, ev…
Using the Kubo linear response formalism, we study the effects of intrinsic graphene optical and surface polar phonons (SPPs) on the optical conductivity of doped graphene. We find that inelastic electron-phonon scattering contributes significantly to the phonon-assisted absorption in the optical gap. At room temperature, this midgap absorption can be as large as 20-25% of the universal ac conductivity for graphene on polar substrates due to strong electron-SPP coupling. The midgap absorption, moreover, strongly depends on the substrates and doping levels used. With increasing temperature, the…
Using infrared spectroscopy, we investigate bottom gated ABA-stacked trilayer graphene subject to an additional environment-induced p-type doping. We find that the Slonczewski-Weiss-McClure tight-binding model and the Kubo formula reproduce the gate voltage-modulated reflectivity spectra very accurately. This allows us to determine the charge densities and the potentials of the π-band electrons on all graphene layers separately and to extract the interlayer permittivity due to higher energy bands.
The nonlinear spin-dependent transport properties in zigzag graphene nanoribbons (ZGNRs) edge doped by an atom of group III and V elements are studied systematically using density functional theory combined with non-equilibrium Greens functions. The dopant type, acceptor or donor, and the geometrical symmetry, odd or even, are found critical in determining the spin polarization of the current and the current-voltage characteristics. For ZGNRs substitutionally doped on the lower-side edge, the down (up) spin current dominates in odd-(even-)width ZGNRs under a bias voltage around 1V. Remarkably,…
We report an experimental Raman study of few-layer graphene after chemical doping achieved by a plasma process in CHF$_3$ gas. A systematic reduction of both the splitting and the area of the 2D band is observed with increasing the doping level. Both effects can be ascribed to the electron-electron correlation, which on the one hand reduces the electron-phonon coupling strength, and on the other hand affects the probability of the double resonant Raman process.
We calculate the diffusion barrier of fluorine adatoms on doped graphene in the diluted limit using Density Functional Theory. We found that the barrier $Δ$ strongly depends on the magnitude and character of the graphene's doping ($δn$): it increases for hole doping ($δn<0$) and decreases for electron doping ($δn>0$). Near the neutrality point the functional dependence can be approximately by $Δ=Δ_0-α\, δn$ where $α\simeq6\times10^{-12}$ meVcm$^2$. This effect leads to significant changes of the diffusion constant with doping even at room temperature and could also affect the low temperature d…
Effect of doping of graphene either by Boron (B), Nitrogen (N) or co-doped by B and N is studied using density functional theory. Our extensive band structure and density of states calculations indicate that upon doping by N (electron doping), the Dirac point in the graphene band structure shifts below the Fermi level and an energy gap appears at the high symmetric K-point. On the other hand, by B (hole doping), the Dirac point shifts above the Fermi level and a gap appears. Upon co-doping of graphene by B and N, the energy gap between valence and conduction bands appears at Fermi level and th…
A doped graphene layer in the integer quantum Hall regime reveals a highly unusual particle-hole excitation spectrum, which is calculated from the dynamical polarizability in the random phase approximation. We find that the elementary neutral excitations in graphene in a magnetic field are unlike those of a standard two-dimensional electron gas (2DEG): in addition to the upper-hybrid mode, the particle-hole spectrum is reorganized in linear magneto-plasmons that disperse roughly parallel to $ω=v_F q$, instead of the usual horizontal (almost dispersionless) magneto-excitons. These modes could b…
Injection or optical generation of electrons and holes in graphene bilayers (GBLs) can result in the interband population inversion enabling the terahertz (THz) radiation lasing. The intraband radiative processes compete with the interband transitions. We demonstrate that remote doping enhances the indirect interband generation of photons in the proposed GBL heterostructures. Therefore such remote doping helps surpassing the intraband (Drude) absorption and results in large absolute values of the negative dynamic THz conductivity in a wide range of frequencies at elevated (including room) temp…
We investigate the many-body properties of graphene on top of a piezoelectric substrate, focusing on the interaction between the graphene electrons and the piezoelectric acoustic phonons. We calculate the electron and phonon self-energies as well as the electron mobility limited by the substrate phonons. We emphasize the importance of the proper screening of the electron-phonon vertex and discuss the various limiting behaviors as a function of electron energy, temperature, and doping level. The effect on the graphene electrons of the piezoelectric acoustic phonons is compared with that of the …
Recently, we have reported theoretical studies (J. Chem. Phys. 129, 054703, 2008 and J. Chem. Phys. 130, 086101, 2009) on the rate of energy transfer from an electronically excited molecule to graphene. It was found that graphene is a very efficient quencher of the electronically excited states and that the rate $\propto $ $(distance)^{-4}$. The process was found to be effective up to $30\;nm$ which is well beyond the traditional FRET limit. In this report, we study the transfer of an amount of energy $\hbar Ω$ from a dye molecule to doped graphene. We find a crossover of the distance dependen…
Magnetically-doped graphene systems are potential candidates for application in future spintronic devices. A key step is to understand the pairwise interactions between magnetic impurities embedded in graphene that are mediated by the graphene conduction electrons. A large number of studies have been undertaken to investigate the indirect exchange, or RKKY, interactions in graphene. Many of these studies report a decay rate faster than expected for a 2-dimensional material and the absence of the usual distance dependent oscillations. In this review we summarize the techniques used to calculate…
The generalized self-consistent field method is used to describe intraband relaxation processes in a general multiband electronic system with presumably weak residual electron-electron interactions. The resulting memory-function conductivity formula is shown to have the same structure as the result of a more accurate approach based on the quantum kinetic equation. The results are applied to heavily doped and lightly doped graphene. It is shown that the scattering of conduction electron by phonons leads to the redistribution of the intraband conductivity spectral weight over a wide frequency ra…
Spectral and transport properties of doped (or gated) graphene with long range charged impurities are discussed within the self-consistent Born approximation. It is shown how, for impurity concentrations $n_{imp}\gtrsim n$ a finite DOS appears at the Dirac point, the one-particle lifetime no longer scales linearly with the Fermi momentum, and the lineshapes in the spectral function become non-lorentzian. These behaviors are different from the results calculated within the Born approximation. We also calculate the optical conductivity from the Kubo formula by using the self-consistently calcula…
A bilayer graphene based electrostatically doped tunnel field-effect transistor (BED-TFET) is proposed in this work. Unlike graphene nanoribbon TFETs in which the edge states deteriorate the OFF-state performance, BED-TFETs operate based on different bandgaps induced by vertical electric fields in the source, channel, and drain regions without any chemical doping. The performance of the transistor is evaluated by self-consistent quantum transport simulations. This device has several advantages: 1) ultra-low power (VDD=0.1V), 2) high performance (ION/IOFF>104), 3) steep subthreshold swing (SS<1…
Ab-initio density functional perturbation theory (DFPT) has been employed to study thermodynamical properties of pure and doped graphene sheet and the results have been compared with available theoretical and experimental data. The concentration of B and N has been varied upto 50% of the carbon atoms in graphene. Phonon frequencies are essential ingredients entering into such a calculation, which have been computed by using the dynamical matrix provided by VASP software in combination with phonopy code in the harmonic approximation. This easily provides us the Helmholtz free energy and leads u…
A dilute distribution of magnetic impurities is assumed to be present in doped graphene. We calculate the interaction energy between two magnetic impurities which are coupled via the indirect-exchange or Ruderman-Kittel-Kasuva-Yosida (RKKY) interaction by the doped conduction electrons. The current model is a half-filled $AB$-lattice structure. Our calculations are based on the retarded lattice Green's function formalism in momentum-energy space which is employed in linear response theory to determine the magnetic susceptibility in coordinate space. Analytic results are obtained for gapped gra…
We compute the nonlinear optical response of doped mono- and bilayer graphene using the full dispersion based on tight-binding models. The response is derived with the density matrix formalism using the length gauge and is valid for any periodic system, with arbitrary doping. By collecting terms that define effective nonlinear response tensors, we identify all nonlinear Drude-like terms (up to third-order) and show that all additional spurious divergences present in the induced current vanish. The nonlinear response of graphene comprises a large Drude-like divergence and three resonances that …
We report fully quantum simulations of realistic models of boron-doped graphene-based field effect transistors, including atomistic details based on DFT calculations. We show that the self-consistent solution of the three-dimensional (3D) Poisson and Schrödinger equations with a representation in terms of a tight-binding Hamiltonian manages to accurately reproduce the DFT results for an isolated boron-doped graphene nanoribbon. Using a 3D Poisson/Schrödinger solver within the Non-Equilibrium Green's Functions (NEGF) formalism, self-consistent calculations of the gate-screened scattering potent…
We analyze the electronic properties of adatom doped graphene in the low impurity concentration regime. We focus on the Anderson localized regime and calculate the localization length ($ξ$) as a function of the electron doping and an external magnetic field. The impurity states hybridize with carbon's $p_z$ states and form a partially filled band close to the Dirac point. Near the impurity band center, the chiral symmetry of the system's effective Hamiltonian is partially preserved which leads to a large enhancement of $ξ$. The sensitivity of transport properties, namely Mott's variable range …
Unlike single layer graphene, in the case of $AB$-stacked bilayer graphene (BLG) one can induce a non-zero energy gap by breaking the inversion symmetry between the two layers using a perpendicular electric field. This is an essential requirement in field-effect applications, particularly since the induced gap in BLG systems can be further tuned by the magnitude of the external electric field. Doping is another way to modify the electronic properties of graphene based systems. We investigate here BLG systems doped with boron and nitrogen in the presence of external electric field, in the frame…
Early experiments on alkali-doped graphene demonstrated that the dopant adatoms modify the conductivity of graphene significantly, as extra carriers enhance conductivity while Coulomb scattering off the adatoms suppresses it. However, conductivity probes the overall scattering rate, so a dominant channel associated with long-range Coulomb scattering will mask weaker short-range channels. We present weak localization measurements of epitaxial graphene with lithium adatoms that separately quantify intra- and intervalley scattering rates, then compare the measurements to tight-binding calculation…
The electrodynamics of a two-dimensional gas of massless fermions in graphene is studied by a collisionless hydrodynamic approach. A low-energy dispersion relation for the collective modes (plasmons) is derived both in the absence and in the presence of a perpendicular magnetic field. The results for graphene are compared to those for a standard two-dimensional gas of massive electrons. We further compare the results within the classical hydrodynamic approach to the full quantum mechanical calculation in the random phase approximation. The low-energy dispersion relation is shown to be a good a…
The single-band current-dipole Kubo formula for the dynamical conductivity of heavily doped graphene from Kupčić [Phys. Rev. B 91, 205428 (2015)] is extended to a two-band model for conduction $π$ electrons in lightly doped graphene. Using a posteriori relaxation-time approximation in the two-band quantum transport equations, with two different relaxation rates and one quasi-particle lifetime, we explain a seemingly inconsistent dependence of the dc conductivity $σ^{\rm dc}_{αα}$ of ultraclean and dirty lightly doped graphene samples on electron doping, in a way consistent with the charge cont…
The microscopic quantum theory of nonlinear stimulated scattering of chiral particles in doped $AB$ stacked bilayer graphene on Coulomb field of charged impurities in the presence of strong coherent electromagnetic radiation is presented. The Liouville-von Neumann equation for the density matrix is solved analytically. Here the interaction of electrons with the scattering potential is taken into account as a perturbation. The absorption rate of nonlinear inverse-bremsstrahlung for a grand canonical ensemble of fermionic chiral particles is calculated using the obtained solution. The analysis o…
Adsorbed atoms and molecules play an important role in controlling and tuning the functional properties of two-dimensional (2D) materials. Understanding and predicting this process from theory is challenging because of the need to capture the complex interplay between the local chemistry and the long-range screening response. To address this problem, we present a first-principles multiscale approach that combines linear-scaling density-functional theory, continuum screening theory and large-scale tight-binding simulations into a seamless parameter-free theory of adsorbates on 2D materials. We …
Graphene is known to show a significant photo-thermoelectric effect that can exceed its photovoltaic contribution. Here, by utilizing this effect, we demonstrate a photovoltage measurement of cyclotron resonance in a double-back-gated h-BN/graphene/h-BN two-terminal device. A graphite local bottom gate was fabricated in addition to a p-doped Si global back gate. By tuning the two gate voltages, an in-plane graphene junction having an asymmetric carrier-doping profile was created. With the help of this asymmetric structure, the photo-thermoelectric voltage generated in the vicinity of the metal…
We present a framework to calculate the anisotropic and non-linear photoconductivity for two band systems with application to graphene. In contrast to the usual perturbative (second order in the optical field strength) techniques, we calculate photoconductivity to all orders in the optical field strength. In particular, for graphene, we find the photoresponse to be giant (at large optical field strengths) and anisotropic. The anisotropic photoresponse in graphene is correlated with polarization of the incident field, with the response being similar to that of a half-wave plate. We predict that…
We show that the $d^{0}$ ferromagnetism with high Curie temperature ($T_c$) can be achieved in the electron doped hydrogenated epitaxial graphene on some certain SiC substrates through first-principles calculations. The pristine systems are found to be a Mott insulator independent of SiC polytypes (2$H$, 4$H$ or 6$H$) which, however, play a significant role in the modulation of magnetic interaction. Carrier doping enhances the ferromagnetic coupling due to the double exchange mechanism and thus realizes the phase transition from antiferromagnetism to ferromagnetism. A $T_c$ of around 400 K is …
We demonstrate that the plasmon frequency and Drude weight of the electron liquid in a doped graphene sheet are strongly renormalized by electron-electron interactions even in the long-wavelength limit. This effect is not captured by the Random Phase Approximation (RPA), commonly used to describe electron fluids and is due to coupling between the center of mass motion and the pseudospin degree of freedom of the graphene's massless Dirac fermions. Making use of diagrammatic perturbation theory to first order in the electron-electron interaction, we show that this coupling enhances both the plas…
Graphitic nitrogen-doped graphene is an excellent platform to study scattering processes of massless Dirac fermions by charged impurities, in which high mobility can be preserved due to the absence of lattice defects through direct substitution of carbon atoms in the graphene lattice by nitrogen atoms. In this work, we report on electrical and magnetotransport measurements of high-quality graphitic nitrogen-doped graphene. We show that the substitutional nitrogen dopants in graphene introduce atomically sharp scatters for electrons but long-range Coulomb scatters for holes and, thus, graphitic…
Spectra of the C1s core hole, created in XPS and screened by electronic excitations in pristine and doped graphene, are calculated and discussed. We find that singular effects in the lineshapes are not possible in the pristine graphene, and their observation should be connected with the doping. However, the structure of the low energy excitation spectrum in the region where the singular behaviour is expected leads to asymmetries in the core hole lineshapes in pristine graphene similar to those in doped graphene. This makes the analysis more complex than in the case of metals and may lead to in…
Possible stably-ordered substitutional structures based on a graphene-type crystal lattice are considered. A kinetic model of atomic ordering in metal-doped graphene with stoichiometric (1/8, 1/4, 1/2) and nonstoichiometric compositions is developed. Inasmuch as the intrasublattice and intersublattice 'interchange' ('mixing') energies are competitively different for graphene-based lattice, kinetic curves of the long-range order (LRO) parameters may be nonmonotonic for the structures described by two or three LRO parameters.
