Dynamical thermal conductivity of bilayer graphene in the presence of bias voltage

We study dynamical thermal conductivity of doped biased bilayer graphene for both AA and AB-stacking in the context of tight binding model Hamiltonian. The effects of bias voltage and chemical potential on the behavior of dynamical thermal conductivity are discussed for different stacking of bilayer graphene. Green's function approach has been implemented to find the behavior of thermal conductivity of bilayer graphene within linear response theory. We have found that thermal conductivity decreases with chemical potential for different values of temperature and frequency. Also thermal conductivity of AB stacked bilayer graphene versus bias voltage includes a peak for each value of chemical potential. Furthermore we study the frequency dependence of thermal conductivity of AA stacked bilayer graphene for different values of temperature and bias voltage.     

Electric- and magnetic-field-tuned Landau levels and Hall conductivity in AA-stacked bilayer graphene

We theoretically study the combined effect of magnetic and electric fields on the Landau levels and Hall conductivity in AA-stacked bilayer graphene. From the analytic expressions derived, we obtain explicit criterions for determining the zero-energy Landau level and different level crossings in the graphene bilayer. For providing a scheme of experimental verification, we further explore the quantum Hall effect in such a biased bilayer. It is found that the zero-conductance Hall plateau in this system can vanish at certain specific combinations of magnetic and electric fields, accompanying with the occurrence of resonance Hall conductivity steps.     

Electrical conductivity and diffusion coefficient of electrons in a graphene bilayer

The electron diffusion coefficient and the electrical conductivity of a graphene bilayer in an external electric field with a strength vector directed along the graphene sheet are calculated theoretically. The evolution of the electron system is simulated using the Boltzmann kinetic equation in the relaxation-time semi-classical approximation. Analytic expressions are obtained for the electron diffusion coefficient and the electrical conductivity, and the nonlinear dependences of these quantities on the electric field are established. The dependences of these quantities on the control electrostatic potential between graphene layers are analyzed.     

铜表面抗氧化性能与其覆盖石墨烯的层数依赖关系研究

We studied the oxidation resistance of graphene-coated Cu surface and its layer dependence by directly growing monolayer graphene with different multilayer structures coexisted, di-minishing the influence induced by residue and transfer technology. It is found that the Cu surface coated with the monolayer graphene demonstrate tremendous difference in oxidation pattern and oxidation rate, compared to that coated with the bilayer graphene, which is considered to be originated from the strain-induced linear oxidation channel in monolayer graphene and the intersection of easily-oxidized directions in each layer of bilayer graphene, respectively. We reveal that the defects on the graphene basal plane but not the boundaries are the main oxidation channel for Cu surface under graphene protection. Our finding indi-cates that compared to putting forth efforts to improve the quality of monolayer graphene by reducing defects, depositing multilayer graphene directly on metal is a simple and effective way to enhance the oxidation resistance of graphene-coated metals.     

硅功能化石墨烯热导率的分子动力学模拟

采用Tersoff势函数与Lennard-Jones势函数,结合速度形式的Verlet算法和Fourier定律,对单层和两层硅功能化石墨烯沿长度方向的导热性能进行了正向非平衡态分子动力学模拟.通过模拟发现,硅原子的加入改变了石墨烯声子的模式、平均自由程和移动速度,使得单层硅功能化石墨烯模型的热导率随着硅原子数目的增加而急剧地减小.在300 K至1000 K温度变化范围内,单层硅功能化石墨烯的热导率呈下降趋势,具有明显的温度效应.对双层硅功能化石墨烯而言,少量的硅原子嵌入,起到了提高热导率的作用,但当硅原子数目达到一定数量后,材料的导热性能下降.     

Transport properties in a line defect superlattice of graphene

It was recently reported that a kind of graphene line defect can be fabricated in a controllable experimental way. In the present work we theoretically investigate the band structure and the electronic transport properties of a graphene superlattice formed by embedding periodically line defects in the graphene lattice. Based on the calculated results, we suggest that such a superlattice can be used as a quantum wire array which can carry much larger current than a single graphene nanoribbon. A remarkable advantage of this superlattice over other quantum wires is that the electronic transport in it is insensitive to scattering effects except that the scattering potential range is smaller than the graphene lattice constant. Moreover, we find that the anisotropy of the Dirac cone presented in this superlattice has a nontrivial influence on the universal minimal conductivity and the sub-Poissonian shot noise of graphene.     

Electronic properties of BN-doped bilayer graphene and graphyne in the presence of electric field

In the present paper, we have used density functional theory to study electronic properties of bilayer graphene and graphyne doped with B and N impurities in the presence of electric field. It has been demonstrated that a band gap is opened in the band structures of the bilayer graphene and graphyne by B and N doping. We have also investigated influence of electric field on the electronic properties of BN-doped bilayer graphene and graphyne. It is found that the band gaps induced by B and N impurities are increased by applying electric field. Our results reveal that doping with B and N, and applying electric field are an effective method to open and control a band gap which is useful to design carbon-based next-generation electronic devices.     

Inhomogenous electronic structure, transport gap, and percolation threshold in disordered bilayer graphene

The inhomogenous real-space electronic structure of gapless and gapped disordered bilayer graphene is calculated in the presence of quenched charge impurities. For gapped bilayer graphene, we find that for current experimental conditions the amplitude of the fluctuations of the screened disorder potential is of the order of (or often larger than) the intrinsic gap Δ induced by the application of a perpendicular electric field. We calculate the crossover chemical potential Δ(cr), separating the insulating regime from a percolative regime in which less than half of the area of the bilayer graphene sample is insulating. We find that most of the current experiments are in the percolative regime with Δ(cr)?Δ. The huge suppression of Δ(cr) compared with Δ provides a possible explanation for the large difference between the theoretical band gap Δ and the experimentally extracted transport gap.     

Excitonic effects of bilayer graphene: A simple approach

The present work investigates the excitonic effects on the bilayer graphene with layers of different thickness under the influence of external electric field through a simple numerical approach. The band structure and energy gap have been calculated using a tight-binding model including parameters like the second-nearest-neighbor-hopping energies t′ (in-plane) and γ (intra-layer) and the on-site energy Δ, in details. The binding energy of exciton for bilayer graphene has been calculated by Wannier model and Hartree–Fock approximation through the Bethe–Salpeter equation. Finally the optical conductivity spectrum of bilayer graphene has been calculated by using the effective mass approximation in two band model.     

Optical properties of biased bilayer graphene due to gap parameter effects

We address the optical conductivity of undoped bilayer graphene in the presence of a finite bias voltage at finite temperature. The effects of gap parameter and stacking type on optical conductivity are discussed in the context of tight binding model Hamiltonian. Green’s function approach has been implemented to find the behavior of optical conductivity of bilayer graphene within linear response theory. We have found the frequency dependence of optical conductivity for different values of gap parameter and bias voltage. Also the dependence of optical conductivity on the temperature has been investigated in details. A peak appears in the plot of optical conductivity versus frequency for different values of temperatures and bias voltage. Furthermore we find the frequency position of broad peak in optical conductivity goes to higher values with increase of gap parameter for both bernal and simple stacked bilayer graphenes.     

Assessment of bilayer silicene to probe as quantum spin and valley Hall effect

Silicene takes precedence over graphene due to its buckling type structure and strong spin orbit coupling. Motivated by these properties, we study the silicene bilayer in the presence of applied perpendicular electric field and intrinsic spin orbit coupling to probe as quantum spin/valley Hall effect. Using analytical approach, we calculate the spin Chern-number of bilayer silicene and then compare it with monolayer silicene. We reveal that bilayer silicene hosts double spin Chern-number as compared to single layer silicene and therefore accordingly has twice as many edge states in contrast to single layer silicene. In addition, we investigate the combined effect of intrinsic spin orbit coupling and the external electric field, we find that bilayer silicene, likewise single layer silicene, goes through a phase transitions from a quantum spin Hall state to a quantum valley Hall state when the strength of the applied electric field exceeds the intrinsic spin orbit coupling strength. We believe that the results and outcomes obtained for bilayer silicene are experimentally more accessible as compared to bilayer graphene, because of strong SO coupling in bilayer silicene.     

Perfect spin filtering controlled by an electric field in a bilayer graphene junction:Effect of layer-dependent exchange energy

Magneto transport of carriers with a spin-dependent gap in a ferromagnetic-gated bilayer of graphene is investigated.We focus on the effect of an energy gap induced by the mismatch of the exchange fields in the top and bottom layers of an AB-stacked graphene bilayer. The interplay of the electric and exchange fields causes the electron to acquire a spindependent energy gap. We find that, only in the case of the anti-parallel configuration, the effect of a magnetic-induced gap will give rise to perfect spin filtering controlled by the electric field. The resolution of the spin filter may be enhanced by varying the bias voltage. Perfect switching of the spin polarization from +100% to -100% by reversing the direction of electric field is predicted. Giant magnetoresistance is predicted to be easily realized when the applied electric field is smaller than the magnetic energy gap. It should be pointed out that the perfect spin filter is due to the layer-dependent exchange energy. This work points to the potential application of bilayer graphene in spintronics.     

How water makes graphene metallic

A simple explanation is given on the tendency of graphene to become metallic when the amount of doped water is increased, an effect which was previously obtained from ab initio band calculations. It is clarified how the effect is mainly determined by oriented water electric dipoles, which create a step like potential at the separation distance between graphene and water planes. By using perturbation theory and an effective potential coupled with a image-charge tail potential, we showed that under increasing the water doping, the lowest energy free band in graphene starts lowering their energies by approaching to the Fermi level. Moreover, we demonstrated that this crossing induces a huge increase of states at the Fermi level, an effect akin to the magic-angle flat-band appearance in bilayer graphene.     

Anomalous increase in the thermopower in a graphene monolayer formed on a tunable graphene bilayer

The conductivity and thermopower of a graphene monolayer formed on a tunable graphene bilayer have been studied within a simple model. It has been shown that kinks of the conductivity and peaks of the thermopower of the graphene monolayer appear near the edges of the band gap of the tunable graphene bilayer.     

Effects of nitrogen-doping configurations with vacancies on conductivity in graphene

We investigate electronic transport in the nitrogen-doped graphene containing different configurations of point defects: singly or doubly substituting N atoms and nitrogen–vacancy complexes. The results are numerically obtained using the quantum-mechanical Kubo–Greenwood formalism. Nitrogen substitutions in graphene lattice are modelled by the scattering potential adopted from the independent self-consistent ab initio calculations. Variety of quantitative and qualitative changes in the conductivity behaviour are revealed for both graphite- and pyridine-type N defects in graphene. For the most common graphite-like configurations in the N-doped graphene, we also consider cases of correlation and ordering of substitutional N atoms. The conductivity is found to be enhanced up to several times for correlated N dopants and tens times for ordered ones as compared to the cases of their random distributions. The presence of vacancies in the complex defects as well as ordering of N dopants suppresses the electron–hole asymmetry of the conductivity in graphene.     

空位缺陷对金属基外延石墨烯态密度和电导率的影响

考虑到空位缺陷的存在和原子非简谐振动,以铜、镍基外延石墨烯为例, 研究了金属基外延石墨烯空位缺陷浓度和态密度以及电导率随温度的变化规律,探讨了空位缺陷的影响。结果表明：(1) 空位缺陷浓度随温度升高而非线性增大,外延石墨烯的空位缺陷浓度及其随温度的变化率均大于石墨烯; (2) 与石墨烯相同,金属基外延石墨烯的态密度变化曲线对电子能量为0为对称,但空位缺陷的存在使态密度在电子能量为零时的值不为零,空位缺陷对导带态密度的影响大于价带;态密度随空位缺陷浓度的增大而线性减小,但减小幅度不大,而温度对石墨烯态密度几乎无影响;（3）金属基外延石墨烯的电导率近似等于电子声子相互作用贡献的电导率,并随温度升高而非线性减小;空位缺陷的存在使电导率有所减小,但只在较高温度下才明显。原子非简谐振动情况的电导率稍大于简谐近似的电导率,温度愈高,两者电导率的差愈大,即非简谐效应愈显著。     

Terahertz laser based on optically pumped graphene: Model and feasibility of realization

We consider a terahertz laser based on optically pumped graphene layer and bilayer as the active media and suggested waveguide structure. Using the developed model, we calculate the spectral dependences the dynamic conductivity of the optically pumped graphene layer and bilayer associated with the interband and intraband transitions, estimate the pumping optical power required for lasing, and demonstrate the feasibility of realization of such a laser. The article is published in the original.     

Faraday rotations,ellipticity, and circular dichroism in magneto-optical spectrum of moiré superlattices

We study the magneto-optical conductivity of a number of van der Waals heterostructures, namely, twisted bilayer graphene, AB-AB and AB-BA stacked twisted double bilayer graphene and monolayer graphene and AB-stacked bilayer graphene on hexagonal boron nitride. As the magnetic field increases, the absorption spectrum exhibits a self-similar recursive pattern reflecting the fractal nature of the energy spectrum. Whilst twisted bilayer graphene displays only weak circular dichroism, the other four structures display strong circular dichroism with monolayer graphene and AB-stacked bilayer graphene on hexagonal boron nitride being particularly pronounced owing to strong inversion symmetry breaking properties of the hexagonal boron nitride layer. As the left and right circularly polarized light interact with these structures differently, plane-polarized incident light undergoes a Faraday rotation and gains an ellipticity when transmitted. The size of the respective angles is on the order of a degree.     

Effect of charged impurity correlations on transport in monolayer and bilayer graphene

We study both monolayer and bilayer graphene transport properties taking into account the presence of correlations in the spatial distribution of charged impurities. In particular we find that the experimentally observed sublinear scaling of the graphene conductivity can be naturally explained as arising from impurity correlation effects in the Coulomb disorder, with no need to assume the presence of short-range scattering centers in addition to charged impurities. We find that also in bilayer graphene, correlations among impurities induce a crossover of the scaling of the conductivity at higher carrier densities. We show that in the presence of correlation among charged impurities the conductivity depends nonlinearly on the impurity density n_i and can increase with n_i.     

Device characteristics and tight binding based modeling of bilayer graphene field-effect transistor

In this work the device characteristic of bilayer graphene MOSFET is investigated by calculation of transmission coefficient using tight-binding method. The real shape of applied potential on the bilayer graphene was included in the tight binding calculation. As obtained transmission coefficient is used to explore the current–voltage characteristics of the device in both on and off regimes. Electrical behavior of the device was obtained for different gate and drains voltages and channel length.