Optical properties of metallic nanowires

The optical response of metallic nanowires is determined taking into account the non-local electron response by use of a self-consistent method and a jellium model. An exact formula for the reflection factor is obtained in the usual case of an hydrodynamic dielectric function. Up to a constant factor it coincides with the non-retarded limit of the amplitude obtained in a previous calculation, leading finally to the same extinction function. This function is calculated for certain metallic nanowires of experimental interest (Na, Ag). From the non-retarded near field response, the scattering amplitude at any distance can be derived.     

氮化铌纳米线光学特性

氮化铌(NbN)纳米线是超导纳米线单光子探测器(SNSPD)常用的光敏材料,其光学性质是影响SNSPD性能的关键因素.本文结合实验数据和仿真结果,系统研究了多种NbN超导纳米线探测器器件结构的光学特性,表征了以下四种器件结构下的反射光谱以及透射光谱:1)双面热氧化硅衬底背面对光结构;2)双面SiN硅衬底背面对光结构;3)硅衬底上以金层+SiN缓冲层为反射镜的正面对光结构;4)以分布式布拉格反射镜(DBR)为衬底的正面对光结构.并在上述四种器件结构基础上,生长了不同厚度的NbN薄膜,观察不同厚度NbN薄膜的吸收效率.经分析,发现在不同器件结构下的最佳NbN厚度与光吸收率的关系如下:双面热氧化硅衬底上的NbN层在1606 nm处最大吸收率为91.7%,其余结构在最佳NbN厚度条件下吸收率都能达到99%以上.其中双面SiN的硅衬底结构中最大吸收率为99.3%, Au+SiN为99.8%, DBR为99.9%.最后,将DBR器件实测结果与仿真结果进行了差异性分析.这些结果对高效率SNSPD设计与研制具有指导意义.     

Optical limiting properties of CdS nanowires

Intensity-dependent nonlinear optical transmission studies of cadmium sulfide (CdS) nanowires (∼ 50-100 nm diameter) suspended in dimethylformamide have been carried out in the visible region using the Z-scan technique with 7 ns pulses from the second harmonic of an Nd:YAG laser. The optical limiting threshold of CdS nanowires suspension was determined to be 1.3 J cm^− 2, with normalized transmittance of 0.47, which is relatively lower when compared with those of many popular metal nanowire suspensions reported in the literature. Based on an effective three-photon absorption model, nonlinear absorption and nonlinear scattering were identified as the dominant processes for the measured reduced transmittance.     

Hydrothermal synthesis and chromic properties of hexagonal WO3 nanowires

This paper reports that highly purified hexagonal WO 3 nanowires are synthesized by a simple hydrothermal method.The as-synthesized WO 3 nanowires are investigated in detail by ultraviolet-visible-near infrared spectroscopy and electrical transport measurements under different conditions.It finds that the optical band gap and the diffuse reflection coefficient in the wavelength region above 450 nm of WO 3 nanowires decrease observably upon exposure to ultraviolet light or NH 3 gas.It is also found that there are electrons being trapped or released in individual WO 3 nanowires when scanning bias voltage in different directions upon exposure to ultraviolet and NH 3 gas.The experimental results suggest that the chromic properties might be attributed to the injection/extraction of hydrogen ions induced by ultraviolet light irradiation in air or creation/annihilation of oxygen vacancies induced by NH 3 gas exposure,which serve as colour centres and trap electrons as polarons.The experimental results also suggest that the hexagonal WO 3 nanowires will be a good candidate for sensing reduced gas such as NH 3.     

Optical investigation of dysprosiumaluminumgarnet (DyAlG)

The absorption spectrum of the transitions⁶ H _15/2→⁶ F _3/2,⁶ F _5/2 in Dysprosiumaluminumgarnet (DyAlG) is investigated. In the antiferromagnetic state (T _N =2,49°K) a splitting of the crystal field levels by an internal magnetic field is observed. The splitting of the lowest crystal field level I of the groundterm in the internal field is (5,2±0,5) cm^?1, extrapolated to 0°K.     

Ultrasonic assisted synthesis of styrylpyridinium dyes: Optical properties and DFT calculations

The ultrasonic technique has received considerable attention in several fields; in particular, it gained rapid momentum in organic synthesis due to the larger reaction rates, milder reaction conditions, and better yields. We report herein a facile synthesis of a series of styrylpyridinium based dyes under ultrasonic irradiation. Within short reaction time (15 min) under ultrasonic irradiation, compared to normal laboratory conditions, (4–16 h), we can achieve good to excellent yields. The reaction time is shortened because ultrasound can accelerate the generation of the nucleophile of the pyridinium salt and subsequently a nucleophilic addition of an aldehyde followed by dehydration affords the styrylpyridinium dye, (Knoevenagel condensation). The photophysical properties of all compounds are comprehensively investigated in different solvents. All the compounds exhibit negative solvatochromism both in absorption and fluorescence emission spectra. Such behavior is due to the higher dipole moment of these molecules at the ground state. DFT calculations were performed to understand the electronic structure of the molecules. Our results show the high efficacy of sonochemistry over other methods for preparation of styrylpyridinium dyes.     

Electronic and optical properties of V doped AlN nanosheet: DFT calculations

Electronic and optical properties of pure and V-doped AlN nanosheet have been investigated using density functional theory, and the dielectric tensor is calculated using the random phase approximation (RPA). The results of structural calculations show that the V atoms tend to replace instead of aluminum atoms with the lowest formation energy. In addition, study of the electronic properties shows that pure AlN nanosheet is a p-type semiconductor that by increasing one V atom, it possesses the metallic properties and magnetic moment becomes Zero. Moreover, by replacing two V atoms, the half-metallic behavior with 100% spin polarization can be found, and each supercell gains a net magnetic moment of 3.99 µ_B. Optical properties like the dielectric function, the energy loss function, the absorption coefficients, the refractive index are calculated for both parallel and perpendicular electric field polarizations, and the results show that the optical spectra are anisotropic.     

Unidirectional hexagonal rare-earth disilicide nanowires on vicinal Si(100)-2×1

Rare-earth disilicide nanowires grown on vicinal Si(100) with a miscut of 2–2.5° toward the [110] azimuth at 600 °C were studied by scanning tunneling microscopy and compared with those grown on flat Si(001). In contrast to rare-earth disilicide nanowires grown on flat Si(100) surfaces, the nanowires grow unidirectionally along the [01̄1] direction of the vicinal Si(100) surface. Rare-earth disilicide nanowires form bundles composed of single nanowire units on both flat and vicinal surfaces. Yet, on the vicinal surface, the bundle width is comparable to the width of the terrace. The average nanowire length on the vicinal substrate is longer than that on the flat substrate. Scanning tunneling spectroscopy shows that the rare-earth disilicide nanowires have metallic properties. PACS 81.07.Vb; 81.16.Dn; 68.65.La; 68.37.Ef     

Optical and structural properties of Eu-diffused and doped ZnO nanowires

Single crystal ZnO nanowires diffused with europium (Eu) from a solid source at 900 °C for 1 h or doped with Eu during growth have been characterized. The ZnO nanowires were grown by chemical vapor deposition on Si substrates employing Au as a catalyst. The diameter of the resulting nanowires was 200 nm with a length of 1 μm. Photoluminescence spectra excited by a He–Cd laser at room temperature showed the green luminescence at 515 nm in Eu-diffused nanowires. A small red shift of near-band-edge emission of ZnO nanowires was observed in the diffused wires, but sharp emission from Eu³ ions was not present. Transmission electron microscopy shows crystalline Eu₂O₃ formation on the diffused nanowire surface, which forms a coaxial heterostructure system. When Eu was incorporated during the nanowire growth, the sharp ⁵D_O–⁷F₂ transition of the Eu³⁺ ion at around 615 nm was observed.     

Optical properties of individual GaAs quantum dots embedded into AlGaAs nanowires

The photoluminescence (PL) spectra of semiconductor structures, namely, Al_0.3Ga_0.7As-based quasi-one-dimensional cylindrical nanowires (nanowhiskers), are measured. The diameter of a typical nanowire is 20–50 nm, and its length was 0.5–1.0 μm. Samples containing one or several GaAs-based quantum dots at the center of the quantum wire are studied. The dot thickness is 2 nm, and the dot diameter is 15–40 nm. Individual nanowhiskers, several nanowhiskers (3–4), and ensembles consisting of many nanowhiskers are studied. The PL spectra are measured for different optical-excitation intensities and in magnetic fields of up to 11 T.     

Mechanistic understanding of hydrogenation of acetaldehyde on Au(111): A DFT investigation

This paper describes the reaction pathways for hydrogenation of acetaldehyde on atomic hydrogen pre-adsorbed Au(111) employing density functional theory (DFT) calculations. All the surface species involved in the reaction scheme have low diffusion barriers, suggesting that the rearrangement and movement of these species on the surface are facile under reaction condition. The hydroxyethyl is proposed to be the intermediate for the hydrogenation of acetaldehyde, and the activation energy for its formation is 0.37 eV. Additionally, the coupling reaction of hydroxyethyl and acetaldehyde – resulting in the formation of the ethylidene ethylene glycol (CH₃C^?HOCH(CH₃)OH) species – also readily occurs at the reaction condition. Two-dimensional (2-D) polyacetaldehyde ((CH₃CHO)₂) can be easily hydrogenated to ethylidene ethylene glycol or ethoxy hemiacetal (CH₃CH₂OCH(CH₃)O^?); the latter can be converted to ethanol and acetaldehyde via further hydrogenation. As the hydrogenation products of ethylidene ethylene glycol and ethoxy hemiacetal, ethoxyethanol (CH₃CH₂OCH(CH₃)OH) can be deeply hydrogenated to hydroxyethyl and ethanol. Our calculations also suggest that the formation of an ethoxyl intermediate is not likely, which agrees with the experimental observation that no deuterated acetaldehydes have been detected in isotopic measurements.     

Magnetic and electronic properties of Fe/Cu multilayered nanowires: A first-principles investigation

By using the first-principles calculations, we have systematically investigated the equilibrium structure, magnetic and electronic properties of one-dimensional Fe/Cu multilayered nanowires. We find that the stability of the Fe/Cu multilayered nanowires decreases with increasing concentration of nonmagnetic Cu layers, suggesting that rich Fe nanowires are more stable. Analysis of the average magnetic moment (μ_av) per Fe atom in the Fe/Cu multilayered nanowire suggests that there is a slight increase in μ_av with the increase in the number of nonmagnetic Cu layers, which was attributed to the increased Fe–Cu distance with increase in the Cu layers at interfacial layers. Furthermore, analysis of the band structures of these nanowires suggests strong dependence of conductance on the nonmagnetic Cu spacer layer thickness and a half-metallic character is observed for moderate Cu atoms substitutions, opening up the possibility for their application in magnetoelectronics or spintronics.     

六方氮化硼单层中一种(CN)3VB缺陷的第一性原理计算

二维六方氮化硼(hBN)的点缺陷最近被发现可以实现室温下的单光子发射,而成为近年的研究热点.尽管其具有重要的基础和应用研究意义,hBN中发光缺陷的原子结构起源仍然存在争议.本文采用基于密度泛函理论的第一性原理计算,研究hBN单层中一种B空位附近3个N原子被C替代的缺陷(CN)3VB.在hBN的B空位处,3个N原子各自带...     

Anisotropic Dirac cones in monoatomic hexagonal lattices: a DFT study

In the last few years, the fascinating properties of graphene have been thoroughly investigated. The existence of Dirac cones is the most important characteristic of the electronic band-structure of graphene. In this theoretical paper, hexagonal monolayers of silicon (h-Si) and germanium (h-Ge) are examined using density functional theory, within the generalized gradient approximation. Our numerical results indicate that both h-Si and h-Ge are chemically stable. The lattice parameters, electronic dispersion relations and densities of states for these systems are reported. The electronic dispersion relations display Dirac cones with the symmetry of an equilateral triangle (the group D₃) in the vicinity of the K-points. Hence, the Fermi velocity depends on the wave vector direction around K-points. Fermi velocities for holes and electrons are significantly different. The maximum and minimum Fermi velocities are also reported.     

Stabilities,electronic and magnetic properties of Cu-doped nickel clusters: a DFT investigation

In this paper, we investigate the electronic and magnetic properties of Cu-doped nickel clusters by means of density functional theory. The stabilities of these clusters have also been studied in terms of the binding energies, second-order difference of energies, fragmentation energies and HOMO–LUMO energy gaps. The obtained results reveal that the N₄Cu, N₅Cu and Ni₇Cu clusters are found to be more stable that than all other clusters. Higher HOMO–LUMO gap was observed for Ni₅Cu cluster (2.265 eV), indicating its higher chemical stability. A half-metallic behaviour has also been observed for the Ni_nCu clusters, which suggests that these clusters can be employed as nanocatalysts for several catalytic processes, particularly for hydrogenation and dehydrogenation reactions. The magnetism calculations show that the magnetic moment is mostly located on the Ni atoms, and the contribution of the Cu atom to the total magnetic moment in the Ni_nCu clusters is very small. Furthermore, partial density of states analysis indicates that the 3d orbitals in Ni atoms are mostly responsible for the magnetic behaviour of these clusters, and the s orbitals have a very little contribution to the total magnetic moment.     

Optical properties of gold metal clusters: A time-dependent local-density-approximation investigation

The optical response of free and matrix-embedded gold metal clusters Au_N is investigated in the framework of the time-dependent local-density-approximation (TDLDA). The characteristics of the surface plasmon resonance are carefully analyzed as a function of the model parameters and the particle radius. The strong influence of the frequency-dependence of the 5d core-electron dielectric function in the vicinity of the interband threshold is emphasized. The size evolution of the Mie-frequency in free gold clusters exhibits a noticeable blue-shift trend as the particle size decreases, much stronger than in silver clusters. The width and shape of the resonance, essentially ruled by the decay via the interband transitions, are found closely correlated to the imaginary component of the core-electron dielectric function. In presence of a surrounding matrix the blue-shift trend is largely rubbed out. Agreement with recent experimental results on size-selected gold clusters embedded in an alumina matrix may be achieved by taking into account the porosity effects at the metal/matrix interface. The comparison with the predictions of classical models is also provided. Received: 9 March 1998 / Revised: 5 June 1998 / Accepted: 3 July 1998     

多波长飞秒激光激发下GaAs纳米线SHG特性研究

本文基于有限元法研究了直立生长于GaAs衬底的GaAs纳米线的光场响应和光场增强性质. 实验使用多个波长的飞秒激光脉冲激发GaAs纳米线, 测得了较高效率的二次谐波信号, 并首次使用宽带超连续飞秒脉冲 (1000–1300 nm) 在纳米线上获取了宽带、无杂散荧光噪声的二次谐波信号. 这种高效的二次谐波产生过程主要归因于纳米结构引起的局域场增强效应. 本文阐明了GaAs纳米线的二次谐波倍频特性, 这些结果对于其在纳米光学中的光器件、 光集成等领域的进一步研究和实际应用具有很好的参考价值. 关键词： GaAs纳米线 二次谐波 飞秒激光