Anisotropic optical response of GaN and AlN nanowires

We present a theoretical study of the electronic structure and optical properties of free-standing GaN and AlN nanowires. We have implemented the empirical tight-binding method, with an orbital basis sp(3), that includes the spin-orbit interaction. The passivation of the dangling bonds at the free surfaces is also studied, together with the effects on the electronic structure of the nanowire. For both GaN and AlN nanowires, we have found a remarkable anisotropy of the optical absorption when the light-polarization changes, showing in the case of GaN a dependence on the nanowire size.     

未钝化和H钝化GaN纳米线的电子结构

用密度泛函理论研究直径为9.5Å,15.9Å和22.5Å,未钝化和H钝化GaN纳米线的能带和态密度.结果表明:未钝化和H钝化GaN纳米线的能隙都是直接带隙,未钝化GaN纳米线的禁带宽度随着直径的增加减小,但是变化不明显,H钝化GaN纳米线的禁带宽度随着直径增大也是减小的,但是减小的幅度比未钝化的大.未钝化GaN纳米线表面N原子的2p电子主要聚集在价带顶,表面Ga原子的4p电子主要聚集在导带底,这两种电子都具有很强的局域性,而且决定着能隙值;加H钝化可以消除表面原子产生的表面效应.     

Se，Te纳米线系统的结构稳定性研究

采用第一性原理计算及经验方法研究了Se，Te纳米线的结构稳定性. Se与Te的晶体是由三角Se，Te原子链构成并且链间相互作用相对较弱. 小直径的纳米线(<30?)进行了第一性原理计算； 同时对于大直径的纳米线，采用了一种只考虑了链间相互作用的经验方法. 六边形截面的构型比其他各种结构都要稳定，虽然在原子链数目的限制下无法保证其为正六边形. 该结论与被广泛接受的Se，Te纳米线的六边形稳定结构相一致. 关键词： 第一性原理 纳米线 硒 碲     

ANSYS仿真激光切割氧化锌纳米线

 以脉冲高斯激光为光源,直径在500 nm～1 000 nm、长度10 μm的一维氧化锌材料为对象,采用有限元分析软件ANSYS建立了激光切割氧化锌纳米线的热力学仿真模型,并采用生死单元技术对超过熔点的单元进行处理,得到不同激光工作参数和氧化锌纳米线直径下的温度分布场和切割形貌。讨论了纳米线直径和聚焦光斑相对纳米线的位移对切割的影响,纳米线直径越大允许的激光离焦量越小;当无离焦或负离焦较小时,切割纳米线产生的形貌较为理想。     

Scintillation and optical behavior of GaN nanowires in the presence of low-energy X-ray photons: A Geant4 simulation

GaN nanowires were studied as a possible candidate for use in the future development of X-ray scintillator detectors with high spatial resolution using a Monte Carlo simulation. The assessment was performed from the optical response perspective. The ability of such a nanowire to act as scintillating fibers was simulated using Geant4 code. The optimal dimensions of the nanowire (considering practical limitations) to achieve the best optical guiding effect were also determined. Moreover, the energy response of the nanowire was investigated for the design of a suitable external photodetector. To more accurately study the proposed structure, a scintillating screen containing approximately 2,000,000 nanowires was simulated in a porous anodized alumina membrane (PAAM) with a hexagonal arrangement. Using these specifications, the spatial resolution and efficiency of the detector were precisely calculated. The results showed that the spatial resolution and efficiency of the detector were <1 μm and ∼17%, respectively.     

Electrochemical Deposition and Properties of ZnTe Nanowire Array

Pulsed electrodeposited technique is applied to fabricate ZnTe nanowire arrays with different diameters into the anodic alumina membrane in citric acid solution. The x-ray powder diffraction, scanning electron microscopy and transmission electron microscopy indicate that the high ordered, uniform and single-crystalline nanowires have been fabricated. The optical absorption spectra of the nanowire array show that the optical absorption band edge of the ZnTe nanowire array exhibit a blue shift compared with that of bulk ZnTe, and the nonlinear current-voltage characteristic is observed.     

Ni掺杂浓度对硅纳米线光电性质的影响

利用基于密度泛函理论的第一性原理,对不同直径和浓度Ni掺杂硅纳米线的形成能、能带结构、态密度和光学性质进行了计算,结果表明：杂质Ni的形成能随硅纳米线直径的减小和掺杂浓度的降低而下降,这说明直径越大的硅纳米线掺杂越困难,杂质浓度越高的硅纳米线越不稳定. Ni掺杂在费米能级附近及带隙中引入杂质能级,其主要来自Ni的3d轨道,杂质能级扩展成杂质带,改变Ni的掺杂浓度可改变硅纳米线的带隙,改善其导电性. 另外,还发现掺杂浓度明显改变了硅纳米线的吸收强度和宽度.     

Ion track-based nanowire arrays with gradient and programmable diameters towards rational light management

Integrating nanowires with nonuniform diameter and random spatial distribution into an array can afford unconventional and additional means for modulating optical response. However, experimental realization of such a nanowire array is quite challenging. In this work, we propose a new fabrication strategy which takes advantage of ion track technology, via sequential swift heavy ion irradiation and ion track etching. Based on this strategy, we unprecedentedly realize nanowire arrays, using gold as an example, with gradient and programmable diameters in a controlled manner. We further demonstrate that such nanowire arrays can support broadband, tunable, and enhanced plasmonic responses. We believe that our new type of nanowire arrays will find great potential in applications such as light management and optoelectronic devices.     

Synthesis of GaN nanowires by Tb catalysis

Rare earth metal seed Tb was employed as catalyst for the growth of GaN wires. GaN nanowires were synthesized successfully through ammoniating Ga₂O₃/Tb films sputtered on Si(1 1 1) substrates. The samples characterization by X-ray diffraction and Fourier transform infrared indicated that the nanowires are constituted of hexagonal wurtzite GaN. Scanning electron microscopy, transmission electron microscopy, and high-resolution transmission electron microscopy showed that the samples are single-crystal GaN nanowire structures. The growth mechanism of the GaN nanowires is discussed.     

High-quality GaN nanowires synthesized using a CVD approach

High-quality GaN nanowires were synthesized on a large-area Si substrate by direct reaction of gallium with ammonia using InCl₃ as a catalyst. The morphology and microstructure of the resulting products were characterized using a field-emission scanning electron microscope (SEM), a high-resolution transmission electron microscope, and X-ray diffraction (XRD). XRD and electron diffraction revealed that the nanowires are of a hexagonal GaN phase with the wurtzite structure. The SEM study showed that the nanowires are straight and have a smooth morphology with lengths up to 500 μm. The present results reveal that InCl₃ is an optimal catalyst in GaN nanowire production. Received: 2 April 2002 / Accepted: 12 April 2002 / Published online: 19 July 2002     

Vacancies in GaN bulk and nanowires: effect of self-interaction corrections

We investigate gallium and nitrogen vacancies in gallium nitride (GaN) bulk and nanowires using self-interaction corrected pseudopotentials (SIC). In particular, we examine the band structures to compare and contrast differences between the SIC results and standard density functional theory (DFT) results using a generalized gradient approximation (GGA) (Perdew et al 1996 Phys. Rev. Lett. 77 3865) functional. For pure nanowires, we observed similar trends in the bandgap behaviour, with the gap decreasing for increasing nanowire diameters (with larger bandgaps using SIC pseudopotentials). For gallium vacancies in bulk GaN and GaN nanowires, SIC results are similar to DFT-GGA results, albeit with larger bandgaps. Nitrogen vacancies in bulk GaN show similar defect-induced states near the conduction band, whilst a lower lying defect state is observed below the valence band for the DFT-GGA calculations and above the valence band for the SIC results. For nitrogen vacancies in GaN nanowires, similar defect states are observed near the conduction band, however, while the SIC calculations also show a defect state/s above the valence band, we were unable to locate this state for the DFT-GGA calculations (possibly because it is hybridized with edge states and buried below the valence band).     

Fabrication and optical properties of platinum nanowire arrays on anodic aluminium oxide templates

Arrays of Pt nanowires, fabricated by electrodepositing Pt metal into nanoporous anodic aluminium oxide (AAO) templates, exhibit a preferable optical absorption band in the ultraviolet-visible (UV-VIS) spectra and present a blueshift as the wire aspect ratio increases or its radius decreases. This type of optical property of Pt nanowire/porous alumina composites has been theoretically explored using Maxwell－Garnett (MG) effective medium theory. The MG theory, however, is only applicable to nanowires with an infinitesimally small radius relative to the wavelength of an incident light. The nanowire radius is controlled by the pore radius of the host alumina, which depends on anodizing conditions such as the selected electrolyte, anodizing time, temperature and voltage. The nanowire aspect ratios depend on the amount of Pt deposited into the nanopores of AAO films. The optical absorption properties of the arrays of Pt nanowires with diameters of 24, 55 and 90 nm have been investigated by the UV-VIS spectra, which show that the extinction maximum (λ_max) shifts to shorter wavelength side as the wire aspect ratio increases or its radius decreases. The results are qualitatively consistent with those calculated based on the MG theory.     

量子局域效应和应力对GaSb纳米线电子结构影响的第一性原理研究

采用基于密度泛函理论的第一性原理计算方法, 研究了不同晶体结构和尺寸的GaSb纳米线能带结构特性和载流子的有效质量, 以及单轴应力对GaSb纳米线能带结构的调控. 研究结果表明: 闪锌矿结构[111]方向和纤锌矿结构[0001]方向的小尺寸GaSb纳米线均出现间接带隙的能带结构, 并可通过单轴应力来实现纳米线能带结构由间接带隙到直接带隙的转变, 其中, 闪锌矿结构[111]方向GaSb纳米线仅在受到单轴拉伸应力时才发生能带由间接带隙到直接带隙的转变, 而纤锌矿结构[0001]方向GaSb纳米线无论受单轴拉伸还是压缩应力的作用均可实现能带由间接带隙到直接带隙的转变; [111]和[0001]方向GaSb纳米线的带隙和载流子有效质量与纳米线直径呈非线性关系, 并随纳米线直径的减小而增大; 同一方向和尺寸的GaSb纳米线, 其空穴有效质量要小于电子有效质量, 这表明小尺寸GaSb纳米线有利于空穴载流子输运.     

云母模板中Cu纳米线的制备及其光学性质研究

利用快重离子辐照的单晶白云母片产生潜径迹,蚀刻得到直径在30—180 nm纳米孔道. 孔道形状依赖于蚀刻时间,蚀刻时间短得到圆柱形孔道,蚀刻时间长得到菱柱形孔道. 从而在云母模板孔道中电化学沉积得到不同直径和形状的Cu纳米线. 通过紫外可见光谱分析,发现铜纳米线的尺寸和形状影响其光学性质. 直径小于60 nm的近似为圆柱状Cu纳米线有一个明显的表面等离子体共振峰和一个微弱的次峰. 随着直径增加,菱柱状的Cu纳米线主峰有明显的红移,次峰逐渐增强. 同时利用扫描电子显微镜、X射线衍射对Cu纳米线的形貌和晶体结构特征进行了表征. 关键词： Cu纳米线 电化学沉积 光学性质 云母模板     

Template synthesis of single-crystal Cu nanowire arrays by electrodeposition

Cu nanowire arrays have been synthesized using potentiostatic electrodeposition within the confined nanochannels of a porous anodic alumina membrane. The Cu nanowire arrays and the individual nanowires have been characterized using SEM, TEM, SAED, HREM and XRD. Investigation results reveal that the Cu nanowire arrays having high wire packing densities are highly ordered over large areas. The individual Cu nanowires (diameter ∼60 nm) were single-crystal and found to be dense and continuous with uniform diameters throughout their entire length. An optimum ECD condition (at lower overpotentials) for the synthesis of single-crystal Cu nanowires was also discussed. Received: 19 April 2001 / Accepted: 28 April 2001 / Published online: 20 June 2001     

Synthesis and characterization of GaN nanowires by ammoniating Ga2O3/Cr thin films deposited on Si(1 1 1) substrates

GaN nanowires have been successfully synthesized on Si(1 1 1) substrates by magnetron sputtering through ammoniating Ga₂O₃/Cr thin films at 950 °C. X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), FT-IR spectrophotometer, scanning electron microscopy (SEM), high-resolution transmission electron microscopy (TEM), and photoluminescence (PL) spectrum were carried out to characterize the microstructure, morphology, and optical properties of GaN samples. The results demonstrate that the nanowires are single-crystal GaN with hexagonal wurtzite structure and high-quality crystalline, have the size of 30-80 nm in diameter and several tens of microns in length with good emission properties. The growth direction of GaN nanowires is perpendicular to the fringe of (1 0 1) plane. The growth mechanism of GaN nanowires is also discussed in detail.     

Growth and characterization of high-quality GaN nanowires by ammonification technique

GaN nanowires were successfully synthesized at high quality and large yield on Si (1 1 1) substrate through ammoniating Ga₂O₃/BN films deposited by radio frequency (RF) magnetron sputtering system. X-ray diffraction (XRD), Fourier transformed infrared spectra (FTIR) and selected-area electron diffraction (SAED) confirm that the as-synthesized nanowires are of a hexagonal GaN with wurtzite structure. Scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM) reveal that the nanowires have a straight and smooth curved structure with extremely uniform diameter of about 60 nm, which is helpful to the application of GaN nanowires. The present results demonstrate that the BN is a very important intermedium in the growth of GaN nanowires by this method.     

Synthesis and morphology evolution of GaN/C nanocables

GaN/C nanocables were synthesized via a thermochemical process. The GaN/C nanocables were composed of single crystalline GaN nanowire cores with a mean diameter of 80 nm and parallel carbon sheathes with a thickness of several nanometers. We find that GaN nanocables were partially evolved into waved GaN nanowires and discontinuously ordered nanodots within the carbon sheaths due to the decomposition of GaN at high temperature regions. Both the carbon sheathes and GaN nanowire cores show a high degree of crystalline perfection. This method may be applied to coat a wide range of nanostructures with carbon sheathes and prepare various hetrostructures, which may serve as potential building blocks in nanodevices.     

Large-scale crystalline GaN nanowires synthesized through a chemical vapor deposition method

Large-scale, high-density gallium nitride nanowires were successfully synthesized by the direct reaction of gallium and ammonia using gold as initiator. The as-synthesized product was characterized by XRD, SEM, TEM, SAED, and EDS. The results showed that the product is hexagonal wurtzite GaN with high purity. The nanowires have diameters in the range of 60–100 nm and are a few tens of micrometers in length. A remarkable feature is that catalyst particles were observed at the ends of the nanowires, indicating that the growth process can be controlled by the vapor–liquid–solid mechanism. The present results revealed that gold is an effective and advantageous catalyst for the growth of GaN nanowires. PACS 81.05.Ea; 81.10.Bk; 68.65.-k