Transmission resonances through aperiodic arrays of subwavelength apertures

Resonantly enhanced light transmission through periodic subwavelength aperture arrays perforated in metallic films has generated significant interest because of potential applications in near-field microscopy, photolithography, displays, and thermal emission. The enhanced transmission was originally explained by a mechanism where surface plasmon polaritons (collective electronic excitations in the metal surface) mediate light transmission through the grating. In this picture, structural periodicity is perceived to be crucial in forming the transmission resonances. Here we demonstrate experimentally that, in contrast to the conventional view, sharp transmission resonances can be obtained from aperiodic aperture arrays. Terahertz transmission resonances are observed from several arrays in metallic films that exhibit unusual local n-fold rotational symmetries, where n = 10, 12, 18, 40 and 120. This is accomplished by using quasicrystals with long-range order, as well as a new type of 'quasicrystal approximates' in which the long-range order is somewhat relaxed. We find that strong transmission resonances also form in these aperiodic structures, at frequencies that closely match the discrete Fourier transform vectors in the aperture array structure factor. The shape of these resonances arises from Fano interference of the discrete resonances and the non-resonant transmission band continuum related to the individual holes. Our approach expands potential design parameters for aperture arrays that are aperiodic but contain discrete Fourier transform vectors, and opens new avenues for optoelectronic devices.     

Origin of the metallic properties of heavily boron-doped superconducting diamond

The physical properties of lightly doped semiconductors are well described by electronic band-structure calculations and impurity energy levels. Such properties form the basis of present-day semiconductor technology. If the doping concentration n exceeds a critical value n(c), the system passes through an insulator-to-metal transition and exhibits metallic behaviour; this is widely accepted to occur as a consequence of the impurity levels merging to form energy bands. However, the electronic structure of semiconductors doped beyond n(c) have not been explored in detail. Therefore, the recent observation of superconductivity emerging near the insulator-to-metal transition in heavily boron-doped diamond has stimulated a discussion on the fundamental origin of the metallic states responsible for the superconductivity. Two approaches have been adopted for describing this metallic state: the introduction of charge carriers into either the impurity bands or the intrinsic diamond bands. Here we show experimentally that the doping-dependent occupied electronic structures are consistent with the diamond bands, indicating that holes in the diamond bands play an essential part in determining the metallic nature of the heavily boron-doped diamond superconductor. This supports the diamond band approach and related predictions, including the possibility of achieving dopant-induced superconductivity in silicon and germanium. It should also provide a foundation for the possible development of diamond-based devices.     

Archimedean-like tiling on decagonal quasicrystalline surfaces

Monolayers on crystalline surfaces often form complex structures with physical and chemical properties that differ strongly from those of their bulk phases. Such hetero-epitactic overlayers are currently used in nanotechnology and understanding their growth mechanism is important for the development of new materials and devices. In comparison with crystals, quasicrystalline surfaces exhibit much larger structural and chemical complexity leading, for example, to unusual frictional, catalytical or optical properties. Deposition of thin films on such substrates can lead to structures that may have typical quasicrystalline properties. Recent experiments have indeed showed 5-fold symmetries in the diffraction pattern of metallic layers adsorbed on quasicrystals. Here we report a real-space investigation of the phase behaviour of a colloidal monolayer interacting with a quasicrystalline decagonal substrate created by interfering five laser beams. We find a pseudomorphic phase that shows both crystalline and quasicrystalline structural properties. It can be described by an archimedean-like tiling consisting of alternating rows of square and triangular tiles. The calculated diffraction pattern of this phase is in agreement with recent observations of copper adsorbed on icosahedral Al(70)Pd(21)Mn(9) surfaces. In addition to establishing a link between archimedean tilings and quasicrystals, our experiments allow us to investigate in real space how single-element monolayers can form commensurate structures on quasicrystalline surfaces.     

准晶体的电子比热

计算了10次准晶体Al-Cu-Co，Al-Cu-Li和二十面体准晶Al-Mn-Si在0～1180K温度范围的电子比热，发现这些准晶体的电子比热随温度增加近似线性地增加，但其比热曲线的陡度随费米能级附近的态密度变化而发生较大变化。当电子态密度在费米能级附近的值较大时，电子比热曲线的斜率较大。如：10次准晶Al-Cu-Co，当温度到达1000K时，电子比热为0．2209kB／atom，很明显，此时电子比热不能忽略，讨论了这些准晶体中电子的化学势与温度的关系，发现其化学势随温度增加而增加，这一点准晶体与晶体材料完全不同。     

准晶体的电子比热(英)

计算了10次准晶体Al-Cu-Co;;Al-Cu-Li和二十面体准晶Al-Mn-Si在0～1180K温度范围的电子比热;;发现这些准晶体的电子比热随温度增加近似线性地增加;;但其比热曲线的陡度随费米能级附近的态密度变化而发生较大变化.当电子态密度在费米能级附近的值较大时;;电子比热曲线的斜率较大.如:10次准晶Al-Cu-Co;;当温度到达1000K时;;电子比热为0.2209kB/atom;;很明显;;此时电子比热不能忽略;;讨论了这些准晶体中电子的化学势与温度的关系;;发现其化学势随温度增加而增加;;这一点准晶体与晶体材料完全不同.     

Metal-insulator transition in chains with correlated disorder

According to Bloch's theorem, electronic wavefunctions in perfectly ordered crystals are extended, which implies that the probability of finding an electron is the same over the entire crystal. Such extended states can lead to metallic behaviour. But when disorder is introduced in the crystal, electron states can become localized, and the system can undergo a metal-insulator transition (also known as an Anderson transition). Here we theoretically investigate the effect on the physical properties of the electron wavefunctions of introducing long-range correlations in the disorder in one-dimensional binary solids, and find a correlation-induced metal-insulator transition. We perform numerical simulations using a one-dimensional tight-binding model, and find a threshold value for the exponent characterizing the long-range correlations of the system. Above this threshold, and in the thermodynamic limit, the system behaves as a conductor within a broad energy band; below threshold, the system behaves as an insulator. We discuss the possible relevance of this result for electronic transport in DNA, which displays long-range correlations and has recently been reported to be a one-dimensional disordered conductor.     

Wave and defect dynamics in nonlinear photonic quasicrystals

Quasicrystals are unique structures with long-range order but no periodicity. Their properties have intrigued scientists ever since their discovery and initial theoretical analysis. The lack of periodicity excludes the possibility of describing quasicrystal structures with well-established analytical tools, including common notions like Brillouin zones and Bloch's theorem. New and unique features such as fractal-like band structures and 'phason' degrees of freedom are introduced. In general, it is very difficult to directly observe the evolution of electronic waves in solid-state atomic quasicrystals, or the dynamics of the structure itself. Here we use optical induction to create two-dimensional photonic quasicrystals, whose macroscopic nature allows us to explore wave transport phenomena. We demonstrate that light launched at different quasicrystal sites travels through the lattice in a way equivalent to quantum tunnelling of electrons in a quasiperiodic potential. At high intensity, lattice solitons are formed. Finally, we directly observe dislocation dynamics when crystal sites are allowed to interact with each other. Our experimental results apply not only to photonics, but also to other quasiperiodic systems such as matter waves in quasiperiodic traps, generic pattern-forming systems as in parametrically excited surface waves, liquid quasicrystals, and the more familiar atomic quasicrystals.     

急冷Al-Mn合金中准晶相的形态和化学组成

使用透射式电子显微镜(TEM)观察了Al-12Mn和Al-10Mn-2Fe合金中准晶相的显微形态,选区电子衍射(SAD)做结构分析,用TEM的能谱附件(EDXS)分析准晶相的化学成分。结果表明,典型的准晶相具有菊花状形态,其当量组成非常接近Al_4Mn,准晶相的形态表明它的形成长大机制可能介于非晶和晶体之间;而且,铁的加入促进了合金中准晶相的形成。     

MgxZn1－xSe合金的电子结构、光学性质和稳定性的第一性原理研究

基于密度泛函理论的第一性原理计算,研究了闪锌矿MgxZn1－xSe合金的稳定性、电子结构和光学性质.研究结果表明,闪锌矿ZnSe和MgxZn1－xSe合金都为直接带隙半导体,MgxZn1－xSe合金的带隙宽度Eg和形成能Eb分别可以由Eg＝1.30＋1.34x和Eb＝－1.48＋0.60x－0.27x2进行估计.同时,MgxZn1－xSe合金的价带顶主要取决于Se 4p 和 Zn 3p态电子的相互作用,而其导带底则主要由Zn 4s、Zn 3p 以及Se 4s态电子共同决定.此外,随着镁掺杂系数x的逐渐增大,MgxZn1－xSe合金的静态介电常数逐渐减小,而其吸收谱则出现明显的蓝移现象.研究结果为MgxZn1－xSe合金在光电探测器方面的应用提供了重要的理论指导.     

Formation of zirconium metallic glass

Bulk metallic glasses are commonly produced by the rapid cooling of liquid alloys. They have emerged over the past decade as a novel class of materials, with attractive properties and technological promise. The bulk metallic glasses so far produced contain three or more component elements. These complex compositions are necessary to frustrate the crystallization of the liquid melt on cooling, but can also lead to phase separation, which is detrimental to the thermal and mechanical properties of metallic glasses. Here we report, using X-ray diffraction measurements, the formation of a bulk metallic glass from elemental zirconium at high static pressures and low temperatures (relative to its melting temperature at atmospheric pressure). Amorphous zirconium can be recovered at ambient conditions and demonstrates a superior thermal stability compared to amorphous alloys, which could lead to new high-temperature applications of amorphous metals.     

Cd_xZn_（1-x）Se三元合金电子和光学特性的第一性原理计算（英文）

基于第一性原理计算方法研究了CdxZn1-xSe三元合金以B3（闪锌矿）,硫钒铜矿（P43 m）及四方（P42 m）相存在时的结构、电子和光学特性.对这些三元合金中的晶格常数、体积弹性模量及能带隙的大小对Cd含量x的依赖关系进行了分析.计算和讨论了这些合金中的角动量投影态密度的分布和变化情况.对CdxZn1-xSe三元合金的一些光学特性,如介电函数、折射系数和能量损失函数,也进行了计算和讨论,计算中所用的入射光子能量范围为0～25eV.研究结果与文献中已有的数据相当吻合.     

V掺杂AlN的电子结构和铁磁性质研究

采用基于密度泛函理论的第一性原理平面波赝势方法,对V掺杂AlN的电子结构和铁磁性质进行了研究.结果表明,V掺杂后,由于V 3d与N 2p轨道杂化在半导体能隙中产生自旋极化杂质带,材料表现出半金属铁磁性,其磁矩主要来自以V原子为中心的VN4四面体.另外,通过对V掺杂AlN的铁磁稳定性的研究发现,V原子之间为铁磁耦合时体系处于稳定的基态,并且有围绕N原子形成团簇的趋势,随着V原子间距离的增加,体系FM和AFM态的能量将趋于简并.     

ZrB2电子结构和光学声学性质的第一性原理计算

利用第一性原理计算了ZrB2的电子结构、光学和晶格动力学性质.对ZrB2的能带和电子态密度(DOS)的计算表明,ZrB2具有金属特征,导带主要由B2p轨道反键态和Zr4d电子构成.B原子的σ键由2s和2p杂化轨道形成,Pz轨道单独形成一个连续的π键,这些态之间的跃迁在吸收光谱中会体现出来.布居分析表明,ZrB2中原子间...     

热处理工艺对Mg-RE-Zn-Zr系合金显微组织及力学性能的影响

通过气体保护制备了Mg-RE-Zn-Zr[RE-Ce-40La（wt％）的富铈稀土]合金,并对合金进行了热处理,测试了不同状态下合金的硬度、抗拉强度及伸长率等力学性能,采用光学显微镜、X射线衍射仪及扫描电镜对合金显微组织、拉伸断口进行了分析。结果发现,采用T6热处理工艺后,合金的晶粒尺寸明显细化,硬度、抗拉强度、屈服强度和伸长率显著提高,分别提高了11％,24％,7．3％和102％。     

无序 FCC TixAl(1-x)合金的电子结构和热力学性质

应用合金系统科学(SSA)框架,确定FCC Ti-Al合金系结构参数和性质及相应特征晶体的基本信息;在FCC Ti-Al系中,通过SSA框架计算得到Ti和Al特征原子序列的电子结构和性质;确定新的Gibbs能函数与结构参数和性质能紧密关联。研究结果表明,应用特征原子排列设计可设计无序和有序合金,它们的电子结构、晶格常数、物理性质和热力学性质随成分的变化都可由此求得。     

长程跳跃对一维准晶体电子性质的影响

用数值计算方法对计入三种长程跳跃的一维准晶体的电子性质做了较为详细的研究。计算结果表明,长程跳跃的引入,对子带的精细结构有影响,子带精细结构模糊了,特别是带顶及带底部分,但总带的分枝规律没有改变。同时,长程跳跃的引入,波函数的自相似性没有受到影响,Ninomiya分布律的偏差加大,中间态中有部分变得延展,极少数变得局域。     

Collapse of long-range charge order tracked by time-resolved photoemission at high momenta

Intense femtosecond (10(-15)?s) light pulses can be used to transform electronic, magnetic and structural order in condensed-matter systems on timescales of electronic and atomic motion. This technique is particularly useful in the study and in the control of materials whose physical properties are governed by the interactions between multiple degrees of freedom. Time- and angle-resolved photoemission spectroscopy is in this context a direct and comprehensive, energy- and momentum-selective probe of the ultrafast processes that couple to the electronic degrees of freedom. Previously, the capability of such studies to access electron momentum space away from zero momentum was, however, restricted owing to limitations of the available probing photon energy. Here, using femtosecond extreme-ultraviolet pulses delivered by a high-harmonic-generation source, we use time- and angle-resolved photoemission spectroscopy to measure the photoinduced vaporization of a charge-ordered state in the potential excitonic insulator 1T-TiSe(2 )(refs 12, 13). By way of stroboscopic imaging of electronic band dispersions at large momentum, in the vicinity of the edge of the first Brillouin zone, we reveal that the collapse of atomic-scale periodic long-range order happens on a timescale as short as 20?femtoseconds. The surprisingly fast response of the system is assigned to screening by the transient generation of free charge carriers. Similar screening scenarios are likely to be relevant in other photoinduced solid-state transitions and may generally determine the response times. Moreover, as electron states with large momenta govern fundamental electronic properties in condensed matter systems, we anticipate that the experimental advance represented by the present study will be useful to study the ultrafast dynamics and microscopic mechanisms of electronic phenomena in a wide range of materials.     

W原子链的结构稳定性和电子性质

使用基于密度泛函理论的第一原理平面波赝势法,研究了W原子链的结构稳定性和电子结构性质.计算表明:W原子可以形成线性链、平面之字型、二聚化以及梯子型等一系列的一维链式结构.之字型结构最稳定,其他结构为亚稳定.通过对计算所得的电子结构的讨论,发现这种现象与Peierls畸变有关,同时还讨论了这些结构的相对稳定性以及各链式结构的电子能带、态密度和电荷密度等.     

VO2金属-绝缘结构相变第一性原理研究

基于密度泛函理论和密度泛函微扰理论的第一性原理计算了R相和M1相VO2的电子能带结构和声子色散关系.计算发现:R相VO2的金属性主要来自于未满的t2g轨道中能量最低的3条轨道,当温度低于340 K时,由于V原子链的二聚化和扭曲作用使M1相中的2条t2g轨道降至费米能级以下,从而使M1相表现出半导体特性;在VO2的声子色散谱中沿ΓM和ΓZ方向出现了明显的声子软模,导致这一软模出现的原因是晶体中的电-声相互作用;因此,电-声相互作用是导致VO2金属-绝缘结构相变的直接原因.