三层石墨烯及其n型和p型插层化合物的制备和拉曼光谱表征

我们利用微机械剥离方法制备了三层石墨烯.在此基础上,利用两室气体传输法,以三氯化铁和钾为化学掺杂剂,成功合成了三层石墨烯的一阶p型和n型插层化合物.三层石墨烯的高分辨率拉曼光谱具有独特的2D谱峰线形,该线形可以用作指纹来鉴别三层石墨烯.三层石墨烯一阶插层化合物的拉曼光谱表明,三氯化铁和钾的插层掺杂使得三层石墨烯的层间耦...     

Electronic Raman Scattering in Graphene

Linear dispersion near the Dirac points in the band structure of graphenes can give rise to novel physical properties. We calculate the electronic contribution to the Raman spectra in graphenes, which also shows novel features. In the clean limit, the Raman spectrum in the undoped graphene is linear （with a universal slope against impurity scattering） at low energy due to the linear dispersion near the Dirae points, and it peaks at a position corresponding to the van Hove singularity in the band structure. In a doped graphene, the electronic Raman absorption is forbidden up to a vertical inter-band particle-hole gap. Beyond the gap the spectrum follows the undoped case. In the presence of impurities, absorption within the gap （in the otherwise clean case） is induced, which is identified as the intra-band contribution. The Drude-like intra-band contribution is seen to be comparable to the higher energy inter-band Raman peak. The results are discussed in connection to experiments.     

Graphene layer number dependent size distribution of silver nanoparticles

We observe that silver atoms deposited by thermal evaporation deposition onto n-layer graphene films condense upon annealing to form nanoparticles with an average diameter and density that is determined by the layer numbers of graphene films. The optical microscopy and Raman spectroscopy were utilized to identify the number of the graphene layers and the SEM (scanning electron microscopy) was used to observe the morphologies of the particles. Systematic analysis revealed that the average sizes of the nanoparticles increased with the number of graphene layers. The density of nanoparticles decreased as the number of graphene layers increased, revealing a large variation in the surface diffusion strength of nanoparticles on the different substrates. The mechanisms of formation of these layer-dependent morphologies of silver nanoparticles are related to the surface free energy and surface diffusion of the n-layer graphenes.     

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.     

具有可调电学和光学性质的双层和三层Janus Ga2SSe

将二维(2D)层状材料的单层堆叠成双层或者少数层,可以很好的调节其光电性质,为该领域发展提供了新的机遇.本文采用第一性原理方法系统地研究了堆叠层数和堆叠次序对双层和三层Janus Ga₂SSe的电学和光学性质的影响.我们发现这些结构的层间距差别很大,而结合能差异却很小.尽管所有的双层和三层Janus Ga₂SSe具有间接带隙,然而其带隙值和载流子有效质量与堆叠层数和堆叠次序密切相关.此外,在Janus Ga₂SSe中,通过增加层数,可以增强其在可见光和紫外区域的吸收系数.同时,通过控制层间堆叠模式,进一步调制其吸收系数,导致在可见光和近紫外区域产生多个吸收峰.我们的结果为双层和三层Janus III族单硫化合物的可调节电学和光学性质提供了有价值的见解,这表明其可能在纳米电子和光电子器件中有着广阔的应用前景.     

Charge distribution of a potassium-doped combined system of graphene and hexagonal boron nitride

By using first-principles density functional theory, we investigate the charge distribution of a potassium-doped layered combined system of graphene and hexagonal boron nitride. Two configurations of potassium-doped hexagonal boron nitride layers on graphenes and the reverse geometry of graphenes on hexagonal boron nitride layers are considered. We find that the charge distribution exhibits different features in these two situations. In the former case, the outmost hexagonal boron nitride layer cannot screen the external charges offered by potassium atom completely and most of the transferred charges reside on the two bounding layers. In contrary, the outmost graphene layer near the potassium atom can accept almost all of the transferred charges and only a few of them stay at interior layers in the latter case. A more amazing result is that the characteristics of charge transfer are independent of the number of hexagonal boron nitride layers and graphenes.     

1064nm纳秒激光对石墨烯的损伤效应研究

通过化学气相沉积法制备,并转移到基片得到1~3层石墨烯样品。利用霍尔效应及微区拉曼光谱测量,结合光学显微镜观察,分析了不同层数石墨烯在1064nm纳秒激光辐照下的损伤特性。实验发现1~3层石墨烯的激光损伤阈值依次降低,分别为:单层0.45J/cm2,2层0.34J/cm2,3层0.23J/cm2。激光强度超过阈值时,石墨烯薄膜电阻增大,载流子迁移率降低。通过光学显微镜观察发现局部区域破损,破损区域的拉曼光谱中1580cm-1左右的G峰和2700cm-1左右的2D峰高度比发生变化。实验结果表明1064nm纳秒激光辐照石墨烯主要为剥离作用。     

First-principles study of hydrogen adsorption on titanium-decorated single-layer and bilayer graphenes

The adsorption of hydrogen molecules on titanium-decorated （Ti-decorated） single-layer and bilayer graphenes is studied using density functional theory （DFT） with the relativistic effect. Both the local density approximation （LDA） and the generalized gradient approximation （GGA） are used for obtaining the region of the adsorption energy of H2 molecules on Ti-decorated graphene. We find that a graphene layer with titanium （Ti） atoms adsorbed on both sides can store hydrogen up to 9.51 wt% with average adsorption energy in a range from -0.170 eV to 0.518 eV. Based on the adsorption energy criterion, we find that chemisorption is predominant for H2 molecules when the concentration of H2 molecules absorbed is low while physisorption is predominant when the concentration is high. The computation results for the bilayer graphene decorated with Ti atoms show that the lower carbon layer makes no contribution to hydrogen adsorption.     

Comparative Study of Monolayer and Bilayer Epitaxial Graphene Field-Effect Transistors on SiC Substrates

Monolayer and bilayer graphenes have generated tremendous excitement as the potentially useful electronic materials due to their unique features.We report on monolayer and bilayer epitaxial graphene field-effect transistors(GFETs)fabricated on SiC substrates.Compared with monolayer GFETs,the bilayer GFETs exhibit a significant improvement in dc characteristics,including increasing current density Ids,improved transconductance g_m,reduced sheet resistance R_(on),and current saturation.The improved electrical properties and tunable bandgap in the bilayer graphene lead to the excellent dc performance of the bilayer GFETs.Furthermore,the improved dc characteristics enhance a better rf performance for bilayer graphene devices,demonstrating that the quasifree-standing bilayer graphene on SiC substrates has a great application potential for the future graphene-based electronics.     

Features of 30° Moiré Graphene Bilayers with Folded Holes

New nanomeshes with closed holes based on bilayer graphene twisted by 30° are studied. It is found that such structures can have different electronic characteristics (from semiconducting to metallic) depending on the shape of holes. Comparison with the single-layer graphene meshes having holes of similar shapes demonstrates a significant difference of their electronic spectra. The meshes with triangular “folded” holes turn out to be nonmagnetic in contrast to the single-layer meshes with the same holes. The spectra of 30° bilayer graphene nanomeshes exhibit numerous peaks in the electron density of states within a wide energy range. This makes such structures promising for applications in photovoltaics and optoelectronics. Features of 30° Moiré Graphene Bilayers with Folded Holes.     

On quantum oscillations in a tunable graphene bilayer

Quantum magnetic oscillations of the density of states of a weakly doped graphene bilayer in the presence of a voltage on the gate have been studied. It has been shown that there are additional peaks in the spectrum of oscillations, when the chemical potential is located in the region of the inverted (owing to the voltage on the gate) part of the energy spectrum. Owing to the inverted band structure, quantum oscillations also exist in undoped graphene, when the chemical potential is inside the band gap. A clear physical interpretation of the results is given.     

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.     

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.     

Isotropy of optical excitations in few-layer graphenes

The geometric and the most band structures of monolayer and AB-stacked bilayer graphenes exhibit strong anisotropy. Nevertheless, the absorption spectra are isotropic for the polarization vector on graphene plane. The velocity matrix elements dominate this property. These results suggest that AA- and AB-stacked few-layer graphenes and graphites manifest this feature.     

Effects of Cooper pair tunneling on the electronic structure of trilayer cuprate superconductors

Recent angle-resolved photoemission spectroscopy (ARPES) experiment on the optimally doped trilayer cuprate superconductors Bi2223 has revealed a layer variation of both doping density and d-wave gap. In particular, the two outer layers are overdoped with a gap which is larger than the gap for optimally doped single layer cuprates while the inner layer is underdoped with an even larger gap. Here we propose a minimal model composed of three layer t-J Hamiltonian, single particle interlayer tunneling as well as Cooper pair tunneling terms. By using renormalized mean field method, we study the superconducting order parameters and their dependence of tunneling parameters. Some relevant physical quantities have been calculated. Both tunneling effects influence the electronic structure of the trilayer system and their cooperative action may qualitatively explain the ARPES results.     

Quantum spin Hall and quantum valley Hall effects in trilayer graphene and their topological structures

The present study pertains to the trilayer graphene in the presence of spin orbit coupling to probe the quantum spin/valley Hall effect. The spin Chern-number C_s for energy-bands of trilayer graphene having the essence of intrinsic spin–orbit coupling is analytically calculated. We find that for each valley and spin, C_s is three times larger in trilayer graphene as compared to single layer graphene. Since the spin Chern-number corresponds to the number of edge states,consequently the trilayer graphene has edge states, three times more in comparison to single layer graphene. We also study the trilayer graphene in the presence of both electric-field and intrinsic spin–orbit coupling and investigate that the trilayer graphene goes through a phase transition from a quantum spin Hall state to a quantum valley Hall state when the strength of the electric field exceeds the intrinsic spin coupling strength. The robustness of the associated topological bulk-state of the trilayer graphene is evaluated by adding various perturbations such as Rashba spin–orbit(RSO) interaction αR, and exchange-magnetization M. In addition, we consider a theoretical model, where only one of the outer layers in trilayer graphene has the essence of intrinsic spin–orbit coupling, while the other two layers have zero intrinsic spin–orbit coupling.Although the first Chern number is non-zero for individual valleys of trilayer graphene in this model, however, we find that the system cannot be regarded as a topological insulator because the system as a whole is not gaped.     

Change in the sign of the magnetoresistance effect in bilayer superconductor/ferromagnet structures under change in the type of the domain structure in the ferromagnet

The magnetoresistance effects in the bi- and trilayer hybrid planar superconductor/ferromagnet (S/F) structures based on Py (permalloy) and Nb near the superconducting transition temperature T _C are considered. It has been experimentally shown that the sign of the observed magnetoresistance peaks in the bilayer S/F systems changes from negative to positive at the permalloy layer thickness corresponding to the change in the type of domain walls from Néel to Bloch. For the Néel walls at the ferromagnet coercive fields, the negative magnetoresistance effect, which is due to a decrease in the depairing action of the exchange field E _ex, is observed in the S/F bilayers. For the Bloch domain walls, the magnetoresistance of the bilayer S/F structures is determined by the dissipative motion of Abrikosov vortices in the superconducting layer. In the trilayer F/S/F structures, the magnetoresistance is mainly due to the suppression of the superconducting order parameter in the superconducting layer under the action of the accumulation of the spin-polarized carriers near the S/F interfaces.     

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.     

Electronic structures and optical absorption of multilayer graphenes

We study the electronic structures and the optical absorption spectra of the multilayer graphenes in the effective mass approximation. We decompose the Hamiltonian of graphene with an arbitrary thickness into smaller subsystems effectively identical to monolayer or bilayer graphene, and express the optical spectrum as a summation over the subsystems. We include the full band parameters which compose the bulk graphite, and closely study their effects on the band structure. We found that the particular band parameters destroying the electron–hole symmetry can affect the optical spectrum through shift of the absorption edge.     

近邻层对相邻层界面能的影响

本文采用密度泛函理论比较了三层异质结(石墨烯/石墨烯/石墨烯,石墨烯/石墨烯/氮化硼和氮化硼/石墨烯/氮化硼)和双层异质结(石墨烯/石墨烯,石墨烯/氮化硼)的结合能和广义堆垛能的差异,以研究近邻层的影响. 由于近邻层的影响,相邻层结合能会有从-2.3%到22.55%的变化,但层间距的变化很小. 此外近邻层也会影响相邻层的广义堆垛能,变化值从-2%到10%,具体的变化值依赖于相邻层的性质.