基于光子晶体异质结构的磁可调石墨烯多带吸收

石墨烯在光电子学领域具有广泛应用,但石墨烯的吸收率较低限制了其在某些方面的应用。为了改善单层石墨烯的吸收特性,在前人研究的基础上,设计了石墨烯和光子晶体异质结构构成的复合结构。利用4×4传输矩阵法研究了外磁场、费米能量和设计波长等参数对石墨烯吸收特性的影响。结果表明,所设计的光学结构使石墨烯既保持了原有的宽吸收带,还增加了数目可调的窄吸收带。由于考虑到磁光效应,石墨烯的吸收特性表现出一定的磁圆二色性。对于各吸收带,通常情况下左旋圆偏振光的吸收率要大于右旋圆偏振光的吸收率。但调节外磁场和费米能量,可使各吸收带具有99%以上的吸收,在一定的条件下,还可实现近完美的100%吸收。研究结果为光电子学领域中基于石墨烯的相关器件的设计提供了参考。     

Ti-O共掺杂石墨烯的电子结构和光学性质的理论研究

本文利用基于密度泛函理论的第一性原理方法研究了本征石墨烯和不同掺杂浓度下Ti-O共掺杂石墨烯的电子结构和光学性质,并讨论了其内部的微观机制.研究结果表明:本征石墨烯是一种零带隙材料,狄拉克点在费米能级面上,其在紫外光区的光吸收强度较强.Ti-O共掺杂石墨烯可以很好的打开石墨烯的带隙和提高石墨烯的光催化强度,Ti18-O18@G模型费米能级附近的态密度主要由C-p轨道、Ti-d轨道和O-p轨道杂化而成.Ti18-O18@G模型在可见光区的吸收谱强度最大,主要归因于其内部晶格畸变、带隙被打开和杂质能带的出现,这些因素可以促进电子空穴对的产生和分离,从而使石墨烯在可见光区的光催化能力得到增强.本研究结果可为开发高催化活性的石墨烯提供理论依据.     

Enhancement of THz absorption in monolayer graphene for light at Brewster angle incidence

The enhancement of absorption in graphene for light at Brewster angle incidence is investigated. It is achieved by placing a graphene on a resonant Brewster filter that incorporating a spacer layer. The absorber presents above 50% absorption at resonance, which is attributed to the excitation of guided mode resonances. The electromagnetic field intensity distributions are illustrated to intuitively confirm the physical mechanism of such phenomenon. Moreover, the influence of geometric parameters on absorption is investigated to provide a useful guidance for practical fabrication. Besides, it is found that the absorption properties not only can be controlled by adjusting the incident angle but also can be dynamically tuned by changing the Fermi level. Last, the graphene absorption can be easily extended to multichannel by only an increase in the thickness of spacer. The results open new avenues for combining graphene with general guided mode resonance structure to enable novel optoelectronics device applications.     

Dirac semimetal in three dimensions

We show that the pseudorelativistic physics of graphene near the Fermi level can be extended to three dimensional (3D) materials. Unlike in phase transitions from inversion symmetric topological to normal insulators, we show that particular space groups also allow 3D Dirac points as symmetry protected degeneracies. We provide criteria necessary to identify these groups and, as an example, present ab initio calculations of β-cristobalite BiO(2) which exhibits three Dirac points at the Fermi level. We find that β-cristobalite BiO(2) is metastable, so it can be physically realized as a 3D analog to graphene.     

石墨烯和对称开口谐振环超材料中可调谐的双等离激元诱导透明现象

提出了由石墨烯和两对对称开口谐振环构成的等离激元诱导透明(PIT)超材料结构,该PIT超材料结构之间的耦合形式为暗-亮-暗模式.通过有限元方法模拟,观察到双PIT透明窗口,通过改变石墨烯的费米能级或者改变开口谐振环的几何参数来动态地调制PIT窗口.理论结果表明,当石墨烯与两对对称的开口谐振环之间的相互作用距离为0.5 μm、石墨烯费米能级为1.5 eV时,可得到最优的双透明窗口.双PIT效应在非线性器件、可调谐传感器、开关和慢光器件等方面有潜在的应用价值.     

二硫化钼/石墨烯异质结的界面结合作用及其对带边电位影响的理论研究

采用基于色散修正的平面波超软赝势方法研究了二硫化钼/石墨烯异质结的界面结合作用及其对电荷分布和带边电位的影响.研究表明二硫化钼与石墨烯之间可以形成范德瓦耳斯力结合的稳定堆叠结构.通过能带结构计算,发现二硫化钼与石墨烯的耦合导致二硫化钼成为n型半导体,石墨烯转变成小带隙的p型体系.并通过电子密度差分图证实了界面内二硫化钼附近聚集负电荷,石墨烯附近聚集正电荷,界面内形成的内建电场可以抑制光生电子-空穴对的复合.石墨烯的引入可以调制二硫化钼的能带,使其导带底上移至-0.31 eV,提高了光生电子还原能力,有利于光催化还原反应.     

Effect of electrical contact on performance of WSe2 field effect transistors

Two-dimensional (2D) transition metal dichalcogenides (TMDCs) such as tungsten diselenide (WSe₂) have spead many interesting physical properties, which may become ideal candidates to develop new generation electronic and optoelectronic devices. In order to reveal essential features of 2D TMDCs, it is necessary to fabricate high-quality devices with reliable electrical contact. We systematically analyze the effect of graphene and metal contacts on performance of multi-layered WSe₂ field effect transistors (FETs). The temperature-dependent transport characteristics of both devices are tested. Only graphene-contacted WSe₂ FETs are observed with the metal-insulator transition phenomenon which mainly attributes to the ultra-clean contact interface and lowered contact barrier. Further characterization on contact barrier demonstrates that graphene contact enables lower contact barrier with WSe₂ than metal contact, since the Fermi level of graphene can be modulated by the gate bias to match the Fermi level of the channel material. We also analyze the carrier mobility of both devices under different temperatures, revealing that graphene contact can reduce the charge scattering of the device caused by ionized impurities and phonon vibrations in low and room temperature regions, respectively. This work is expected to provide reference for fabricating 2D material devices with decent performances.     

Surface spin-polarized currents generated in topological insulators by circularly polarized synchrotron radiation and their photoelectron spectroscopy indication

A new method for generating spin-polarized currents in topological insulators has been proposed and investigated. The method is associated with the spin-dependent asymmetry of the generation of holes at the Fermi level for branches of topological surface states with the opposite spin orientation under the circularly polarized synchrotron radiation. The result of the generation of holes is the formation of compensating spin-polarized currents, the value of which is determined by the concentration of the generated holes and depends on the specific features of the electronic and spin structures of the system. The indicator of the formed spin-polarized current can be a shift of the Fermi edge in the photoelectron spectra upon photoexcitation by synchrotron radiation with the opposite circular polarization. The topological insulators with different stoichiometric compositions (Bi_1.5Sb_0.5Te_1.8Se_1.2 and PbBi₂Se₂Te₂) have been investigated. It has been found that there is a correlation in the shifts and generated spin-polarized currents with the specific features of the electronic spin structure. Investigations of the graphene/Pt(111) system have demonstrated the possibility of using this method for other systems with a spin-polarized electronic structure.     

类石墨烯复杂晶胞光子晶体中的确定性界面态

拓扑绝缘体是当前凝聚态物理领域研究的热点问题.利用石墨烯材料的特殊能带特性来实现拓扑输运特性在设计下一代电子和能谷电子器件方面具有较广泛的应用前景.基于光子与电子的类比,利用光子拓扑材料实现了确定性界面态;构建了具有C_(6v)。对称性的类似石墨烯结构的的光子晶体复杂晶格;通过多种方式降低晶格对称性来获得具有C_(3v),C_3,C_(2v)和C_2对称的晶体,从而打破能谷简并实现全光子带隙结构;将体拓扑性质不同的两种光子晶体摆放在一起,在此具有反转体能带性质的界面上,实现了具有单向传输特性的拓扑确定性界面态的传输.利用光子晶体结构的容易加工性,可以简便地调控拓扑界面态控制光的传播,可为未来光拓扑绝缘体的研究提供良好的平台.     

Fermi-level tuning of epitaxial Sb2Te3 thin films on graphene by regulating intrinsic defects and substrate transfer doping

High-quality Sb2Te3 films are obtained by molecular beam epitaxy on a graphene substrate and investigated by in situ scanning tunneling microscopy and spectroscopy. Intrinsic defects responsible for the natural p-type conductivity of Sb2Te3 are identified to be the Sb vacancies and Sb(Te) antisites in agreement with first-principles calculations. By minimizing defect densities, coupled with a transfer doping by the graphene substrate, the Fermi level of Sb2Te3 thin films can be tuned over the entire range of the bulk band gap. This establishes the necessary condition to explore topological insulator behaviors near the Dirac point.     

Abnormal phenomenon of source-drain current of AlGaN/GaN heterostructure device under UV/visible light irradiation

We report an abnormal phenomenon that the source-drain current (I_D) of AlGaN/GaN heterostructure devices decreases under visible light irradiation. When the incident light wavelength is 390 nm, the photon energy is less than the band gaps of GaN and AlGaN whereas it can causes an increase of I_D. Based on the UV light irradiation, a decrease of I_D can still be observed when turning on the visible light. We speculate that this abnormal phenomenon is related to the surface barrier height, the unionized donor-like surface states below the surface Fermi level and the ionized donor-like surface states above the surface Fermi level. For visible light, its photon energy is less than the surface barrier height of the AlGaN layer. The electrons bound in the donor-like surface states below the Fermi level are excited and trapped by the ionized donor-like surface states between the Fermi level and the conduction band of AlGaN. The electrons trapped in ionized donor-like surface states show a long relaxation time, and the newly ionized donor-like surface states below the surface Fermi level are filled with electrons from the two-dimensional electron gas (2DEG) channel at AlGaN/GaN interface, which causes the decrease of I_D. For the UV light, when its photon energy is larger than the surface barrier height of the AlGaN layer, electrons in the donor-like surface states below the Fermi level are excited to the conduction band and then drift into the 2DEG channel quickly, which cause the increase of I_D.     

Plasmons in a planar graphene superlattice

Plasmon collective excitations are studied in a planar graphene superlattice formed by periodically alternating regions of gapless graphene and of its gapped modification. The plasmon dispersion law is determined both for the quasi-one-dimensional case (the Fermi level is located within the minigap) and for the quasi-two-dimensional case (the Fermi level is located within the miniband). The problem concerning the absorption of modulated electromagnetic radiation at the excitation of plasmons is also considered.     

含石墨烯临界耦合谐振器的吸收特性研究

临界耦合谐振器是一种薄膜结构, 可以吸收几乎所有的入射电磁波而不产生散射. 为了有效的实现和控制临界耦合现象, 本文提出了在临界耦合结构中加入了基于石墨烯的多层薄膜结构来代替原来的吸收薄膜层. 计算表明临界耦合现象出现在近红外波段, 且可以通过调节石墨烯的费米能级来获得不同的临界耦合频率; 另外改变多层薄膜结构中介质的厚度、石墨烯的层数, 实现了临界耦合现象的可调谐性, 同时对于弛豫时间和入射角度对吸收效率的影响也做了相应讨论. 本文理论结果为基于石墨烯的临界耦合器件和光探测器件的设计提供了理论依据.     

Longitudinal conductivity in ABC-stacked trilayer graphene under irradiating of linearly polarized light

We study the effect of linearly polarized light on the band structure and longitudinal conductivity in ABC-stacked trilayer graphene. The linearly polarized light can induce a pair of additional points in ABC-stacked trilayer graphene, where conduct and valence bands touch. The locations of these points are determined by the amplitude of the light. Furthermore, the layer pseudospin polarization can be controlled by the light. When the Fermi energy locates at Dirac points, i.e., E_f=0, the longitudinal conductivity shows resonance phenomena when the light is present. Away from the Dirac points, the longitudinal conductivity is unchanged as varying E_f for weak light field at larger Fermi energy, and the amplitude of longitudinal conductivity can be controlled by tuning the light field amplitude. Moreover, the effect of linearly polarized light on resonance phenomena in k-cubic Rashba-Dresselhaus system under the irradiating of linearly polarized light is discussed.     

二硫化钨/石墨烯异质结的界面相互作用及其肖特基调控的理论研究

采用第一性原理方法研究了二硫化钨/石墨烯异质结的界面结合作用以及电子性质,结果表明在二硫化钨/石墨烯异质结中,其界面相互作用是微弱的范德瓦耳斯力.能带计算结果显示异质结中二硫化钨和石墨烯各自的电子性质得到了保留,同时,由于石墨烯的结合作用,二硫化钨呈现出n型半导体.通过改变界面的层间距可以调控二硫化钼/石墨烯异质结的肖特基势垒类型,层间距增大,肖特基将从p型转变为n型接触.三维电荷密度差分图表明,负电荷聚集在二硫化钨附近,正电荷聚集在石墨烯附近,从而在界面处形成内建电场.肖特基势垒变化与界面电荷流动密切相关,平面平均电荷密度差分图显示,随着层间距逐渐增大,界面电荷转移越来越弱,且空间电荷聚集区位置向石墨烯层方向靠近,导致费米能级向上平移,证实了肖特基势垒随着层间距的增加由p型接触向n型转变.本文的研究结果将为二维范德瓦耳斯场效应管的设计与制作提供指导.     

Time-resolved two-photon photoemission of unoccupied electronic states of periodically rippled graphene on Ru(0001)

The unoccupied electronic states of epitaxially grown graphene on Ru(0001) have been explored by time- and angle-resolved two-photon photoemission. We identify a Ru derived resonance and a Ru/graphene interface state at 0.91 and 2.58?eV above the Fermi level, as well as three image-potential derived states close to the vacuum level. The most strongly bound, short-lived, and least dispersing image-potential state is suggested to have some quantum-well character with a large amplitude below the graphene hills. The two other image-potential states are attributed to a series of slightly decoupled states. Their lifetimes and dispersions are indicative of electrons moving almost freely above the valley areas of the moiré superstructure of graphene.     

Transport properties of graphene/metal planar junction

The transport properties of graphene/metal (Cu(111), Al(111), Ag(111), and Au(111)) planar junction are investigated using the first-principles nonequilibrium Green's function method. The planar junction induce second transmission minimum (TM2) below the Fermi level due to the existence of the Dirac point of clamped graphene. Interestingly, no matter the graphene is p- or n-type doped by the metal substrate, the TM2 always locates below the Fermi level. We find that the position of the TM2 is not only determined by the doping effect of metal lead on the graphene, but also influenced by the electrostatic potential of the metal substrate and the work function difference between the clamped and suspended graphene.     

基于石墨烯超材料表面等离子体激元共振的增强太赫兹调制

基于表面等离子体共振原理,采用石墨烯超材料设计了开口环结构,用于调制太赫兹波.增加石墨烯的费米能级,改变开口环的开口距离,叠加多层石墨烯以增强石墨烯超材料的共振强度,进而增强太赫兹波调制,调制频率范围包括低频段和高频段.由于石墨烯费米能级的可调谐性,单层结构在高低两个频段的调制深度分别为81%和68%,多层结构在高低两个频段的调制深度分别增加到93%和95%,为动态调制提供了可能.该设计为调制器、吸收体等太赫兹器件的设计提供了指导和借鉴.     

Enhancement of the light output of light-emitting diode with double photonic crystals

A light-emitting diode (LED) with double photonic crystals (PhCs) is designed to enhance the light output. Based on the configuration of the PhC assisted LED with a single PhC (SPC-LED), a second PhC is added on the bottom surface of the active layer to improve the light output. The optical properties of this double PhCs assisted LED are simulated using the three-dimensional (3D) finite-difference time-domain (FDTD) method. The calculation results show that its light output can be 3.2 times higher than that of LED without PhC, and 1.39 times higher than that of SPC-LED.     

Tailoring edge and interface states in topological metastructures exhibiting the acoustic valley Hall effect

In this study, we investigate the acoustic topological insulator or topological metastructure, where an acoustic wave can exist only in an edge or interface state instead of propagating in bulk. Breaking the structural symmetry enables the opening of the Dirac cone in the band structure and the generation of a new band gap, wherein a topological edge or interface state emerges.Further, we systematically analyze two types of topological states that stem from the acoustic valley Hall effect mechanism;one type is confined to the boundary, whereas the other type can be observed at the interface between two topologically different structures. Results denote that the selection of different boundaries along with appropriately designed interfaces provides the acoustic waves in the band gap range with abilities of one-way propagation, dual-channel propagation, immunity from backscattering at sharp corners, and/or transition between propagation at interfaces and boundaries. Furthermore, we show that the acoustic wave propagation paths can be tailored in diverse and arbitrary ways by combing the two aforementioned types of topological states.