Transport and Conductance in Fibonacci Graphene Superlattices with Electric and Magnetic Potentials

We investigate the electron transport and conductance properties in Fibonacci quasi-periodic graphene superlattices with electrostatic barriers and magnetic vector potentials.It is found that a new Dirac point appears in the band structure of graphene superlattice and the position of the Dirac point is exactly located at the energy corresponding to the zero-averaged wave number.The magnetic and electric potentials modify the energy band structure and transmission spectrum in entirely diverse ways.In addition,the angular-dependent transmission is blocked by the potential barriers at certain incident angles due to the appearance of the evanescent states.The effects of lattice constants and different potentials on angular-averaged conductance are also discussed.     

Tunable localized surface plasmon resonances in one-dimensional h-BN/graphene/h-BN quantum-well structure

The graphene/hexagonal boron-nitride(h-BN) hybrid structure has emerged to extend the performance of graphenebased devices. Here, we investigate the tunable plasmon in one-dimensional h-BN/graphene/h-BN quantum-well structures.The analysis of optical response and field enhancement demonstrates that these systems exhibit a distinct quantum confinement effect for the collective oscillations. The intensity and frequency of the plasmon can be controlled by the barrier width and electrical doping. Moreover, the electron doping and the hole doping lead to very different results due to the asymmetric energy band. This graphene/h-BN hybrid structure may pave the way for future optoelectronic devices.     

自旋轨道耦合作用下石墨烯pn结的电子输运性质

本文研究了自旋轨道耦合作用下石墨烯纳米带pn结的电子输运性质. 当粒子的入射能量处于pn结两端势能之间时, 粒子将会以隧穿的形式通过石墨烯pn结, 同时伴随着电子空穴转换. 电导随费米能的变化曲线呈不等高阶梯状, 并在费米能位于pn结两端能量中点时取得最大值. 随着石墨烯pn结长度的增加, 电导以指数形式衰减. 自旋轨道耦合作用导致的能隙会使电导显著减小, 而边缘态的粒子则可以几乎毫无阻碍地通过pn结. 本文用一个简单的子带隧穿模型解释了上述特征. 最后还研究了在pn转换区中掺入替位杂质的情况. 在弱杂质下, 电导随费米能变化的曲线将不再对称; 当杂质较强时, 仅边界态的形成的电导台阶能够保持.     

多通道石墨纳米带中弹性声学声子输运和热导特性

采用非平衡格林函数方法, 在保持总的能量输出通道中石墨链数不变的条件下, 研究并比较了并列的石墨纳米带通道中弹性声学声子输运和热导特性. 结果表明, 能量输出通道的增加能降低每个能量输出通道的热导; 与能量输入热库最近的能量输出通道热导最大, 最远的能量输出通道热导最小; 中间能量输出通道的热导性质与并列的各输出通道的结构参数密切相关, 最近和最远的能量输出通道的热导性质仅与各自能量输出通道的结构参数有关; 粗糙边缘结构能有效调节各通道的热导; 总的热导性质与能量输出通道石墨链数、能量输出通道数以及边缘结构粗糙程度密切相关.     

双层h-BN/Graphene结构稳定性及其掺杂特性的第一性原理研究

采用基于密度泛函理论的第一性原理计算方法研究了双层h-BN/Graphene的稳定性及其掺杂特性.研究发现,双层h-BN/Graphene能带结构在K点处有一个小的带隙,在费米能处有类Graphene的线性色散关系.通过施加应变和掺杂来调节带隙,发现掺杂后费米能级附近引入的新能级,主要是N原子的贡献,掺杂后的Na原子和N,C之间存在电荷转移,材料转变为金属性.电荷的转移、载流子密度的增加,在电子元器件中有重要的应用前景.     

Quantum transport in double-gated graphene devices

Double-gated graphene devices provide an important platform for understanding electrical and optical properties of graphene. Here we present transport measurements of single layer, bilayer and trilayer graphene devices with suspended top gates. In zero magnetic fields, we observe formation of pnp junctions with tunable polarity and charge densities, as well as a tunable band gap in bilayer graphene and a tunable band overlap in trilayer graphene. In high magnetic fields, the devices’ conductance are quantized at integer and fractional values of conductance quantum, and the data are in good agreement with a model based on edge state equilibration at pn interfaces.     

石墨烯-六方氮化硼面内异质结构的扫描隧道显微学研究

石墨烯-六方氮化硼面内异质结构因可调控石墨烯的能带结构而受到广泛关注. 本文介绍了在超高真空体系内, 利用两步生长法在两类对石墨烯分别有强和弱电子掺杂的基底, 即Rh(111)和Ir(111)上制备石墨烯-六方氮化硼单原子层异质结构. 通过扫描隧道显微镜及扫描隧道谱对这两种材料的形貌和电子结构进行研究发现: 石墨烯和六方氮化硼倾向于拼接生长形成单层的异质结构, 而非形成各自分立的畴区; 在拼接边界处, 石墨烯和六方氮化硼原子结构连续无缺陷; 拼接边界多为锯齿形型, 该实验结果与密度泛函理论计算结果相符合; 拼接界面处的石墨烯和六方氮化硼分别具有各自本征的电子结构, 六方氮化硼对石墨烯未产生电子掺杂效应.     

Spin polarization and magnetoresistance through a ferromagnetic barrier in bilayer graphene

We study spin dependent transport through a magnetic bilayer graphene nanojunction configured as a two-dimensional normal/ferromagnetic/normal structure where the gate voltage is applied on the layers of ferromagnetic graphene. Based on the four-band Hamiltonian, conductance is calculated by using the Landauer-Buttiker formula at zero temperature. For a parallel configuration of the ferromagnetic layers of bilayer graphene, the energy band structure is metallic and spin polarization reaches its maximum value close to the resonant states, while for an antiparallel configuration the nanojunction behaves as a semiconductor and there is no spin filtering. As a result, a huge magnetoresistance is achievable by altering the configurations of ferromagnetic graphene around the band gap.     

Strain-tunable electronic and optical properties of h-BN/BC_3 heterostructure with enhanced electron mobility

By using first-principles calculation, we study the properties of h-BN/BC_3 heterostructure and the effects of external electric fields and strains on its electronic and optical properties. It is found that the semiconducting h-BN/BC_3 has good dynamical stability and ultrahigh stiffness, enhanced electron mobility, and well-preserved electronic band structure as the BC_3 monolayer. Meanwhile, its electronic band structure is slightly modified by an external electric field. In contrast,applying an external strain can mildly modulate the electronic band structure of h-BN/BC_3 and the optical property exhibits an apparent redshift under a compressive strain relative to the pristine one. These findings show that the h-BN/BC_3 hybrid can be designed as optoelectronic device with moderately strain-tunable electronic and optical properties.     

Band gap opening in zigzag graphene nanoribbon modulated with magnetic atoms

The effects of magnetic atom on the band structure of zigzag-edged graphene nanoribbons are investigated by the density functional theory. The results show that for narrow zigzag-edged graphene nanoribbons, the band gap can be opened duo to the spin-up/spin-down charges being re-enriched on the edge sites. However, for the wide zigzag-edged graphene nanoribbons, a spin-up/spin-down half-metallic property can be observed. Moreover, it is found that the Seebeck coefficients in the narrow zigzag-edged graphene nanoribbons are reversed and enlarged, which provides a way to design novel thermoelectric device.     

Domain growth and aging scaling in coarsening disordered systems

We explore the electronic and transport properties out of a biased multilayer hexagonal boron nitride (h-BN) by first-principles calculations. The band gaps of multilayer h-BN decrease almost linearly with increasing perpendicular electric field, irrespective of the layer number N and stacking manner. The critical electric filed (E ₀) required to close the band gap decreases with the increasing N and can be approximated by E ₀ = 3.2 / (N ? 1) (eV). We provide a quantum transport simulation of a dual-gated 4-layer h-BN with graphene electrodes. The transmission gap in this device can be effectively reduced by double gates, and a high on-off ratio of 3000 is obtained with relatively low voltage. This renders biased MLh-BN a promising channel in field effect transistor fabrication.     

Equipartition of current in metallic armchair nanoribbon of graphene-based device

We numerically investigate the mesoscopic electronic transport properties of Bernal-stacked bilayer/trilayer graphene connected with four monolayer graphene terminals. In armchair-terminated metallic bilayer graphene, we show that the current from one incoming terminal can be equally partitioned into other three outgoing terminals near the charge-neutrality point, and the conductance periodically fluctuates, which is independent of the ribbon width but influenced by the interlayer hopping energy. This finding can be clearly understood by using the wave function matching method, in which a quantitative relationship between the periodicity, Fermi energy, and interlayer hopping energy can be reached. Interestingly, for the trilayer case, when the Fermi energy is located around the charge-neutrality point, the fractional quantized conductance 1/(4e²h) can be achieved when system exceeds a critical length.     

Magnetotransport through ac driven ferromagnetic graphene nanoribbons

We present a theoretical study on the spin-dependent transport through the ferromagnetic graphene nanoribbons in the presence of a magnetic and an in-plane ac electric field, and find that when the ac field is applied, in the two-terminal ferromagnetic graphene device, for the parallel configurations of the electrodes' magnetizations, the width of the even-number conductance plateaus decrease, the new conductance plateaus appear at the odd-number positions, and the even-number conductance plateaus at the high energy are quenched under the sufficiently strong ac field. In contrast, for the antiparallel configuration of the electrodes' magnetizations, the odd-plateaus of the conductance shrink, and the new plateaus developed at the even-number positions. The magnetic resistance exhibits a successive rectangular-like oscillation structure close to the band edge, whereas experiences an alternative transition between the sharp peak and dip near the zero energy with increasing the ac field strength. In the six-terminal ferromagnetic graphene device, the variations of the longitudinal and Hall resistances' plateaus as well as the addition of the new quantized plateaus with the rise of the ac field strength are also revealed.     

Theoretical calculation of excitonic binding energies and optical absorption spectra for Armchair graphene nanoribbons

In this paper the excitons of armchair graphene nanoribbons with layers of different width and thickness have been investigated. In this investigation, the band structure and energy gap of armchair graphene nanoribbons have been calculated using a tight-binding model including edge deformation effects (all edge atoms have been passivated with hydrogen atoms). Also, by calculating the conductance in armchair graphene nanoribbons (A-GNRs) optical absorption of armchair graphene nanoribbon in the single-electron approximation has been obtained. Finally, the binding energy of excitons in armchair graphene nanoribbons has been calculated using the Wannier model, Hartree-Fock approximation and the Bethe-Salpeter equation.     

Edge magnetization in Bernal-stacked trilayer zigzag graphene nanoribbons

We have used a tight-binding Hamiltonian of an ABA-stacked trilayer zigzag graphene nanoribbon with β-alignment edges to study the edge magnetizations. Our model includes the effect of the intralayer next-nearest-neighbor hopping, the interlayer hopping responsible for the trigonal warping and the interaction between electrons, which is considered by a single band Hubbard model in the mean field approximation. Firstly, in the neutral system we analyzed the two magnetic states in which both edge magnetizations reach their maximum value; the first one is characterized by an intralayer ferromagnetic coupling between the magnetizations at opposite edges, whereas in the second state that coupling is antiferromagnetic. The band structure, the location of the edge-state bands and the local density of states resolved in spin are calculated in order to understand the origins of the edge magnetizations. We have also introduced an electron doping so that the number of electrons in the ribbon unit cell is higher than in neutral case. As a consequence, we have obtained magnetization steps and charge accumulation at the edges of the sample, which are caused by the edge-state flat bands.     

graphene量子点的起伏效应对尺寸的敏感性研究

用第一原理研究了graphene量子点器件在不同尺寸时的输运特性,以得到起伏效应所引起的输运特性的变化,以及对尺寸的敏感性.研究结果表明无论电极与锯齿型边界的graphene量子点相连还是与扶手椅型边界的graphene量子点相连,都会受起伏效应较大的影响,并且随尺寸的不同影响程度也不同.加偏压后得到的电流也受较大影响,但两种连法受到的影响随尺寸的增加效果不同. 关键词： graphene 量子点 起伏效应     

Electronic transport and quantum hall effect in bipolar graphene p-n-p junctions

We have developed a device fabrication process to pattern graphene into nanostructures of arbitrary shape and control their electronic properties using local electrostatic gates. Electronic transport measurements have been used to characterize locally gated bipolar graphene p-n-p junctions. We observe a series of fractional quantum Hall conductance plateaus at high magnetic fields as the local charge density is varied in the p and n regions. These fractional plateaus, originating from chiral edge states equilibration at the p-n interfaces, exhibit sensitivity to interedge backscattering which is found to be strong for some of the plateaus and much weaker for other plateaus. We use this effect to explore the role of backscattering and estimate disorder strength in our graphene devices.     

Edge reconstruction limited electron transport of zigzag graphene nanoribbon

Recent experimental characterizations have clearly visualized edge reconstructions in graphene nanoribbon and stable defective configurations. We have performed first principles calculations to evaluate the effects of atomic edge arrangement on the electronic transport properties of zigzag graphene nanoribbons (ZGNR). It is found that different conductance behaviors and variation of resonant energies are influenced by atomic reconstruction among three defective edge configurations. It is predicted that the conductance in edge reconstructed ZGNR is not a monotonic function of the increasing concentration of defects in size, but the topology and the distribution of defects should be taken into account. Our findings suggest that the ability of tuning the electronic transport of ZGNR could be improved through edge reconstruction activated by energetic particle irradiation.     

Ab initio study of the electronic and transport properties of waved graphene nanoribbons

We apply the nonequilibrium Green's function method based on density functional theory to investigate the electronic and transport properties of waved zigzag and armchair graphene nanoribbons. Our calculations show that out-of-plane mechanical deformations have a strong influence on the band structures and transport characteristics of graphene nanoribbons. The computed I-V curves demonstrate that the electrical conductance of graphene nanoribbons is significantly affected by deformations. The relationship between the conductance and the compression ratio is found to be sensitive to the type of the nanoribbon. The results of our study indicate the possibility of mechanical control of the electronic and transport properties of graphene nanoribbons.