电场诱导氧化石墨烯的极化动力学特性研究

本文通过外加电场改变氧化石墨烯团簇分子的共振能量,利用激光激发氧化石墨烯产生的共振荧光特性测量氧化石墨烯在电场作用下的极化动力学特性. 发现存在外加电场使得荧光共振峰的半高全宽趋于饱和的时间特性,而不同的氧化石墨烯团簇分子的荧光共振峰的暂态特性同时反映了电场对氧化石墨烯产生定向极化和变形极化的动力学特性. 关键词： 氧化石墨烯 团簇分子 电场 极化动力学     

外加横向电场作用下石墨烯纳米带电子结构的密度泛函紧束缚计算

采用基于密度泛函理论的紧束缚方法计算研究了外加横向电场对边缘未加氢/加氢钝化的扶手椅型石墨烯纳米带的电子结构及电子布居数的影响.计算结果表明,石墨烯纳米带的能隙变化受其宽带影响.当施加沿其宽度方向的横向外加电场时,纳米带的能带结构及态密度都会产生较大的变化.对于具有半导体性的边缘未加氢纳米带,随着所施加电场强度的增加,...     

羟基饱和锯齿型石墨烯纳米带的电子结构

利用密度泛函理论,计算了羟基饱和锯齿型石墨烯纳米带(OH-ZGNRs)的相对稳定性和外加横向电场对其电子结构的影响.计算结果表明:OH-ZGNRs比氢饱和ZGNRs(H-ZGNRs)更为稳定,具有窄带隙自旋极化基态.此外,在外加横向电场作用下,OH-ZGNRs可实现半导体到半金属相转变. 关键词： 石墨烯纳米带 密度泛函理论 电场     

石墨烯带隙的调控及其研究进展

石墨烯是一种单原子层的二维材料,因其独特的晶格结构而具备十分优越的性能,引起了 科学家的广泛关注。但因其价带与导带相交于狄拉克点,导致石墨烯为没有带隙的半金属,限 制了其在纳电子学器件中的应用。为了打开石墨烯的带隙,研究者们付出了巨大的努力。在石 墨烯中引入带隙的方法包括量子限制法、掺杂法和对称性破缺法,它们分别是将电子限制在一维 的石墨烯纳米带中、对石墨烯进行n-型或p-型掺杂以及在双层石墨烯的垂直方向施加外加电场 使双层石墨烯的对称性破缺。本文着重介绍石墨烯纳米带的合成法、石墨烯掺杂的种类和打破 双层石墨烯对称性的方法。     

电场调控双层石墨烯纳米带的电子结构和光学性质

利用基于密度泛函理论的第一性原理方法,研究了外加电场作用下双层AA堆垛的Armchair边缘石墨烯纳米带(BAGNRs)的电子结构和光学性质. BAGNRs具有半导体特性,其带隙随带宽(宽度为4～12个碳原子)的增加而振荡性减小.当施加电场后,BAGNRs的带隙随着电场强度的增加而逐渐减小,带隙越大对电场值的变化越敏感.当电场值为0.5 V/?时,所有BAGNRs的带隙都为零. BAGNRs具有各向异性的光学性质,其介电函数在垂直极化方向为半导体特性,而在平行极化方向为金属特性.在外加电场的作用下,BAGNRs的介电函数、吸收系数、折射系数、反射系数、电子能量损失系数和光电导率,其峰值向低能量区域移动,即产生红移现象.电场增强了能带间的跃迁几率.纳米带宽度对这些光学性质参数具有不同程度的影响.研究结果解释了电场调控BAGNRs光学性质的规律和微观机理.     

双层石墨烯在栅压调控下的各向异性刻蚀

石墨烯纳米结构在纳电子学研究领域表现出了良好的应用前景.氢等离子体各向异性刻蚀技术是加工石墨烯精细纳米结构的关键技术之一,可以实现10 nm以下平整的锯齿型石墨烯纳米带的可控加工.本文系统研究了外加电场对石墨烯各向异性刻蚀效应的影响,利用外加栅压实现了氧化硅衬底上的双层石墨烯各向异性刻蚀速率的调控.在±30 V栅压变化范围内,刻蚀速率比可达45.由此不仅可以提高大批量加工石墨烯纳米结构的效率,还可以实现5 nm以下极小尺寸石墨烯纳米带的可控加工.研究结果为石墨烯精细纳米结构器件的高效批量加工提供了思路.     

石墨烯/铝基复合材料在纳米压痕过程中位错与石墨烯相互作用机制的模拟研究

石墨烯因其优异的力学性能已成为增强金属基复合材料的理想增强体.然而,目前对石墨烯/金属基复合材料在纳米压痕过程中嵌入石墨烯与位错之间的相互作用仍不清晰.本文采用分子动力学模拟方法,对90°,45°和0°位向的石墨烯/铝基复合材料进行了纳米压痕模拟,研究了压痕加载和卸载过程中石墨烯/铝基复合材料的位错形核及演化,以获取不同位向的石墨烯与位错的相互作用机制,并分析其对塑性区的影响.研究发现,石墨烯可以有效阻碍位错运动,并且石墨烯会沿着位错滑移方向发生弹性变形.在纳米压痕过程中,位错与不同位向石墨烯之间的相互作用差异导致塑性区的变化趋势不同.研究结果表明,在石墨烯/铝基复合材料中,位向不同的石墨烯对位错阻碍强度和方式不同,且石墨烯位向为45°的复合材料的硬度高于其他模型.此外,石墨烯/铝基复合材料的位错线总长度的演化规律与石墨烯位向紧密相关.本文研究可为设计和制备高性能石墨烯/金属基复合材料提供一定的理论指导.     

基于导模共振效应提高石墨烯表面等离子体的局域特性

本文构建了一种包含石墨烯和亚波长光栅的复合结构, 借助衍射光栅的导模共振效应, 在石墨烯表面激发高局域性表面等离子体激元, 研究了石墨烯与光栅结构对表面等离子体激元局域特性的影响规律, 并借助基于有限元法的COMSOL软件, 分析了缓冲层厚度、光栅周期、载流子迁移率和费米能级对石墨烯的表面电场、品质因子Q和有效模式面积S_eff的影响. 结果表明, 石墨烯表面等离子体激元的局域性在特定的参数点获得显著提高: 当μ = 0.7 m²/(V·s)时, 品质因子达到最大值Q_max = 1793; 当p = 235 nm或E_F = 0.72 eV时, 表面电场达到了入射光的3000倍以上. 强烈的局域性导致强烈 的光-物质相互作用, 因而本文提出的复合结构可实现高灵敏度传感器和高效率的非线性光学设备, 极大地扩展了石墨烯在纳米光学领域中的应用.     

石墨烯纳米片电子结构和量子输运特性第一原理研究

用基于密度泛函理论的原子紧束缚方法计算研究单层石墨烯纳米圆片和纳米带的电子结构,并结合第一原理和非平衡函数法计算量子输运特性.通过电子能态和轨道密度分布研究纳米碳原子层的电子成键状态,结合电子透射谱、电导和电子势分布分析电子散射与输运机制.石墨烯纳米带和纳米圆片分别呈现金属和半导体的能带特征,片层边缘上电极化分别沿垂直和切向方向,电子电导出现较大的差异,来源于石墨烯纳米圆片边缘的突出碳原子环对电子的强散射.石墨烯纳米带的电子透射谱表现为近似台阶式变化并在费米能级处存在弹道电导峰,而石墨烯纳米圆片的电子能带和透射谱在费米能级处开口并且因量子限制作用呈现更加离散的多条高态密度窄能带和尖锐谱峰.     

基于石墨烯加载的不对称纳米天线对的表面等离激元单向耦合器

本文设计并数值研究了一种石墨烯加载的不对称金属纳米天线对结构.利用石墨烯费米能级的动态调控特性,实现了电控表面等离激元的单向传输.类似于传统的三明治型纳米天线结构,设计的不对称金属纳米天线对结构可以等效为两个共振的磁偶极子,由于磁偶极子辐射电磁波的干涉,将导致单向传输效应.通过计算腔中的电场分布,发现石墨烯的调谐能力与石墨烯区域的电场强度成正比关系.以上现象都可以通过等效电路模型进行理论解释.此外,该结构具有小尺寸、高效率、宽带宽和易于光电集成等优点,在未来的光子集成与光电子学领域将具有重要的应用.     

Radioelectric effect in a superlattice under the action of an elliptically polarized electromagnetic wave

The density of the current associated with the drag of charge carriers in a superlattice by an elliptically polarized electromagnetic wave is calculated. Two cases of the mutual orientation of the Umov-Poynting vector and the superlattice axis, i.e., their parallel and perpendicular orientations, are analyzed. It is shown that, for the parallel orientation, the radioelectric effect can change sign. The influence of the longitudinal dc electric field on the radioelectric effect is investigated under the conditions where a circularly polarized electromagnetic wave propagates along the superlattice axis. The current density is studied as a function of the electric field strength and the electromagnetic wave intensity. It is demonstrated that the direction of the electric current is changed at specific values of the dc field strength and the wave intensity.     

Local Surface-Plasmons in Nonspherical Metal Nanoparticles

When a small metallic nanoparticle.is irradiated by incident light, the oscillating electric field can cause the conduction electrons to oscillate coherently, which excites the local surface plasmons （LSPs）. As is well known, excited LSPs can gather the energy of incident light to the surface of metallic nanoparticle. Recently, some nonspherical particles, e.g. tetrahedron, are suggested to obtain stronger localized electric field. We employ the discrete dipole approximation method to calculate the optical response of the tetrahedron nanoparticle, including the extinction and distribution of the electric field around the particle. The influences of some parameters, including the nanoparticle size, incident direction and polarization, are investigated to analyse the response modes and to obtain stronger localized electric field.     

Electronic transport of bilayer graphene with asymmetry line defects

In this paper,we study the quantum properties of a bilayer graphene with(asymmetry) line defects.The localized states are found around the line defects.Thus,the line defects on one certain layer of the bilayer graphene can lead to an electric transport channel.By adding a bias potential along the direction of the line defects,we calculate the electric conductivity of bilayer graphene with line defects using the Landauer-Biittiker theory,and show that the channel affects the electric conductivity remarkably by comparing the results with those in a perfect bilayer graphene.This one-dimensional line electric channel has the potential to be applied in nanotechnology engineering.     

石墨烯超快动态光学性质

通过建立石墨烯的光学布洛赫方程, 研究了弱光场下的单层石墨烯超快动态光学性质. 理论研究表明在太赫兹辐射光场下由于泡利不相容和能量守恒原理使得石墨烯系统建立动态非平衡载流子并达到饱和的时间是20–200 fs, 能够在1 ps之内迅速产生光电流. 研究发现√2ev_F E₀ t<0 和ω 分别对应入射光的强度和频率, t为时间, v_F是石墨烯狄拉克点附近电子的费米速度. 研究发现光子能量?ω越大, 电极化强度以及光电流越强. 我们的理论研究结果与已有的众多实验结果一致, 表明石墨烯在超快动态光学领域尤其是太赫兹领域拥有重要的研究和应用价值.     

Angular dependence of the dipole-dipole interaction in a nearly one-dimensional sample of Rydberg atoms

Atoms in an ultracold highly excited sample are strongly coupled through the dipole-dipole interaction. In an effort to understand and manipulate the complicated interactions in this system we are investigating their dependence on the relative orientation of the dipoles. By focusing a 480 nm beam from a tunable dye laser into a magneto-optical trap, we produce a nearly one-dimensional sample of Rydberg atoms. The trap lies at the center of four conducting rods with which we can vary the magnitude and direction of the electric field at the trap, thus controlling the orientation of the dipoles with respect to the sample axis. We have measured the strength of the interaction for a variety of relative orientations.     

Structure determination of aligned systems by solid-state NMR magic angle spinning methods

Single crystal rotational echo double resonance (REDOR) experiments can be used to determine the three-dimensional orientation of heteronuclear bond vectors in an amino acid, as well as the crystal's orientation relative to the rotor fixed frame (RFF). We also demonstrate that for samples uniaxially aligned along the rotor axis, the polar tilt angle of a bond vector relative to the RFF can be measured by use of an analytical expression that describes the REDOR curve for that system. These bond orientations were verified by X-ray indexing of the single crystal sample, and were shown to be as accurate as +/- 1 degrees .     

Efficiency of the structure analysis of complex molecules in the gas phase by their optical rotation

It was shown in the dipole approximation of optical rotation that in the general case only in orientationally anisotropic vapors is the rotational force dependent on the intramolecular orientation of both the electric and magnetic dipole moments. Expressions relating the optical rotational force to the intramolecular orientation of these moments, the orientational distribution in an anisotropic ensemble, and the configuration of a measurement have been obtained. Calculated dependences of the rotational force on the intramolecular orientation of the magnetic moment at a fixed electric moment and “rotational force excitation spectra” obtained for different types of rigid asymmetric top molecules and rotational contours are presented. It is proposed to measure the intramolecular orientation of the electric and magnetic dipole moments with the use of the rotational force normalized to that detected in the case of observation at a “magic” angle to the direction of the exciting light electric vector. Institute of Molecular and Atomic Physics of the Academy of Sciences of Belarus, 70, F. Skorina Ave., Minsk, 220072, Belarus. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 65, No. 6, pp. 843–849, November–December, 1998.     

Effect of dielectric interface on vector field mapping using gold nanoparticles as a local probe: Theory and experiment

We investigate the influence of an air–dielectric interface on evanescent field vector detections using a gold nanoparticle as a local probe. In particular, we are interested in how the reflected field from the interface modifies the scattered signal, both in its strength and polarization direction depending on the detection angle. Dielectric–air or dielectric–water interface is a most widely used platform to perform single molecule spectroscopy. Knowing the electric field direction that the single molecule experiences is prerequisite for obtaining precise information on that molecule. The far-field scattered signal is derived by solving self-consistently the polarization induced on the gold nanoparticle by the local field and its radiated field in the Green function formalism. The scattered light intensity for each detector polarization direction is obtained by varying the dielectric constant, the distance from the gold nanoparticle to the interface, and the detection angle. The gold nanoparticle is modeled by a single dipole and coupled dipoles, respectively, and comparisons are given. Detection angle dependent far-field measurements are compared with theory, and they are in good agreements. Our study shows that for vector-field mapping on dielectric-interface, an ideal detector angle exists whereby the horizontal and vertical field components can be readily deduced without further correction. For any other detector angles, a correction factor should be taken into consideration to determine local field polarization direction.     

Ground state of a simple cubic dipole lattice in an external field

It is shown that there exist stable dipole configurations with orientations along the coordinate axes in the limit of a weak external electric field. The dependence of a dipole structure on the direction and strength of the field is elucidated.