Thermal oxidation and facet‐formation mechanisms of Si nanowires

Silicon nanowires were grown along the [111] direction on Si(001) by the vapor–liquid–solid mechanism using 1 nm Au as a catalyst. They were subsequently oxidized at 900 °C for 60 min, 120 min and 180 min, which lead to the formation of a circular shell of amorphous SiO₂ surrounding the Si core defined by primary (202), (220) (022) and secondary (422) crystal facets that form a polygon with nine sides having a lower symmetry compared to the hexagonal shape of the Si nanowires before oxidation. We explain the facet‐formation mechanism by the oxidation of alternate vertices of the original hexagon, which leads to the appearance of higher index crystallographic planes tangential to a circle corresponding to the energetically favorable core geometry. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Preparation of silica nanowires using porous silicon as Si source

This very paper is focusing on the preparation of silica nano-wires via annealing porous silicon wafer at 1200 °C in H₂ atmosphere and without the assistant metal catalysts. X-ray diffraction, X-ray energy dispersion spectroscopy, scanning electron microscopy, high-resolution transmission electron microscopy and selected area diffraction technology have been employed for characterizing the structures, the morphology and the chemical components of the nano-wires prepared, respectively. It is found that the diameter and the length of the nano-wires were about 100 nm and tens micron, respectively. Meanwhile, it is also necessary to be pointed out that silica NWs only formed in the cracks of porous wafers, where the stress induced both by the electro-chemical etching procedure for the porous silicon preparation and nanowires growth procedure is believed to be lower than that at the center of the island. Therefore, a stress-driven mechanism for the NWs growth model is proposed to explain these findings.     

Thermal stability of silicon nanowires: atomistic simulation study

Using the Stillinger--Weber (SW) potential model, we investigate the thermal stability of pristine silicon nanowires based on classical molecular dynamics (MD) simulations. We explore the structural evolutions and the Lindemann indices of silicon nanowires at different temperatures in order to unveil atomic-level melting behaviour of silicon nanowires. The simulation results show that silicon nanowires with surface reconstructions have higher thermal stability than those without surface reconstructions, and that silicon nanowires with perpendicular dimmer rows on the two (100) surfaces have somewhat higher thermal stability than nanowires with parallel dimmer rows on the two (100) surfaces. Furthermore, the melting temperature of silicon nanowires increases as their diameter increases and reaches a saturation value close to the melting temperature of bulk silicon. The value of the Lindemann index for melting silicon nanowires is 0.037.     

Self‐catalysed growth of InAs nanowires on bare Si substrates by droplet epitaxy

We demonstrate the self‐catalyst growth of vertically aligned InAs nanowires on bare Si(111) by droplet epitaxy. The growth conditions of indium droplets suitable for nucleation and growth of nanowires have been identified. We have then realized vertically aligned and non‐tapered InAs nanowires on bare Si(111) substrates through optimal indium droplets. It was found that the lateral dimensions and density of nano‐wires are defined by the indium droplets. This technique unravels a controllable, cost‐effective and time‐efficient route to fabricating functional monolithic hybrid structures of InAs nanowires on silicon.

     

Numerical modeling of photovoltaic efficiency of n‐type GaN nanowires on p‐type Si heterojunction

In this Letter, we investigate the photovoltaic properties of heterojunction solar cells based on n‐GaN nanowire (NW)/ p‐Si substrate heterostructures by means of numerical modeling. Antireflection properties of the NW array on the top of Si substrate were studied theoretically to show an order of magnitude enhancement in antireflection properties in comparison to the pure Si surface (2.5% vs. 33.8%). In order to determine the optimal morphology and doping levels of the structure with maximum possible efficiency we simulated its properties. The carried out simulation showed that the maximum efficiency should be more than 20% under AM1.5D illumination. The proposed design opens new perspectives and opportunities in the field of heterojunction tandem solar cell researches.

     

Quantum conductance of In nanowires on Si(1 1 1) from first principles calculations

The quantum conductance of the paradigmatic quasi-one-dimensional In/Si(1 1 1) surface system is calculated for 4 × 1, 4 × 2 and 8 × 2 surface reconstructions. In agreement with experiment, we find the recently suggested formation of hexagons within the In nanowires [C. Gonzalez, F. Flores, J. Ortega, Phys. Rev. Lett. 96 (2006) 136101] to drastically modify the electron transport along the In chains. In contrast, the formation of trimers barely changes the quantum conductance.     

Quantized field-electron emission at 300 K in self-assembled arrays of silicon nanowires

Dense ensembles of silicon nanowires were prepared by metal-catalyzed chemical vapor deposition on silicon substrates. Some of these ensembles were doped with phosphorous during growth. The nanowires were characterized using scanning electron microscopy, X-ray diffraction, and mass spectroscopy. Field emission of electrons from these structures was studied at room temperatures in ultra-high vacuum. The measurements were carried out using a parallel-plate diode cell. At high-applied fields, the current–voltage characteristics deviate from the Fowler–Nordheim law and exhibit a step-wise increase in the current with the increasing voltage at 300 K. Possible mechanisms of the observed quantized field emission are discussed.     

Eu掺杂Si纳米线的光致发光特性

利用Si(111)衬底, 以Au-Al为金属催化剂, 基于固-液-固生长机理, 在温度为1100℃, N₂气流量为1.5 L/min、生长时间为30–90 min等工艺条件下, 制备了直径约为100 nm、长度为数微米的高密度、均匀分布、大面积的Si纳米线(～10¹⁰ cm^-2). 对Si纳米线进行了Eu掺杂, 实验研究了不同长度的Si纳米线以及不同掺杂温度、掺杂时间等工艺参数对Eu离子红光发射的影响, 利用扫描电子显微镜和X射线衍射仪对Si纳米线表面形貌和Eu掺杂后Si纳米线的结晶取向进行了测量和表征; 室温下利用Hitachi F-4600型荧光分光光度计对样品的激发光谱和发射光谱进行了测试和分析. 结果表明: 在Si纳米线生长时间为30 min、掺杂温度为1000℃、 最佳激发波长为395 nm时, 样品最强荧光波长为619 nm (⁵D₀→⁷F₂); 同时, 还出现了576 nm (⁵D₀→⁷F₀), 596 nm (⁵D₀→⁷F₁), 658 nm (⁵D₀→⁷F₃)和708 nm (⁵D₀→⁷F₄)四条谱带.     

First-principles study of electron dynamics with explicit treatment of momentum dispersion on Si nanowires along different directions

ABSTRACT

In this research, ground-state electronic structure and optical properties along with photoinduced electron dynamics of Si nanowires oriented in various directions are reviewed. These nanowires are significant functional units of future nano-electronic devices. All observables are computed for a distribution of wave vectors at ambient temperature. Optical properties are computed under the approximation of momentum conservation. The total absorption is composed of partial contributions from fixed values of momentum. The on-the-fly non-adiabatic couplings obtained along the ab initio molecular dynamics nuclear trajectories are used as parameters for Redfield density matrix equation of motion. The main outcomes of this study are transition energies, light absorption spectra, electron and hole relaxation rates, and electron transport properties. The results of these calculations would contribute to the understanding of the mechanism of electron transfer process on the Si nanowires for optoelectronic applications.     

Studies on the nucleation of MBE grown III-nitride nanowires on Si

GaN and AlN nanowires (NWs) have attracted great interests for the fabrication of novel nano-sized devices. In this paper, the nucleation processes of GaN and AlN NWs grown on Si substrates by molecular beam epitaxy (MBE) are investigated. It is found that GaN NWs nucleated on in-situ formed Si₃N₄ fully release the stress upon the interface between GaN NW and amorphous Si₃N₄ layer, while AlN NWs nucleated by aluminization process gradually release the stress during growth. Depending on the strain status as well as the migration ability of III group adatoms, the different growth kinetics of GaN and AlN NWs result in different NW morphologies, i.e., GaN NWs with uniform radii and AlN NWs with tapered bases.     

Aligned silicon nanowires with fine‐tunable tilting angles by metal‐assisted chemical etching on off‐cut wafers

The morphology control of aligned silicon nanowires (SiNWs) is highly desirable as SiNWs demonstrated high prospect in a variety of applications. Besides the control over length, shape and distribution of aligned SiNWs, the fine‐tuning of tilting angles thereof also attracted intense interest. Up to now, only several discrete tilting angles have been reported. In this Letter, the ability to fine‐tune the tilting angle of SiNWs is demonstrated and the range that can be achieved is identified. Our technique employs the anisotropic characteristic of the etching process using custom‐produced off‐cut Si wafers of various orientations as substrates. With this technique, a uniquely favoured etching direction can result and the tilting angle can be precisely controlled. Tilted SiNWs with tilting angles from 0° to 50° relative to the wafer normal were obtained. The mechanism of the tilting angle manipulation is also discussed. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Pt-Ag合金纳米线热力学性质的分子动力学模拟研究

基于原子嵌入势(EAM),采用分子动力学方法,对临界尺寸下的Pt_(0.95)Ag_(0.05)合金纳米线多边形结构的熔化行为进行了计算模拟.结果表明:径向尺寸对Pt_(0.95)Ag_(0.05)合金纳米线的熔点影响较为显著,而长度对其影响较小;引入林德曼因子得到的熔点和用势能-温度变化曲线找到的熔点基本一致;合金纳米线的染色原子由外向内运动;综合分析发现Pt_(0.95)Ag_(0.05)合金纳米线以先外后内的模式进行熔化.     

Pt-Ag合金纳米线热力学性质的分子动力学模拟研究

基于EAM原子嵌入势,采用分子动力学方法,对临界尺寸下的Pt0.95Ag0.05合金纳米线多边形结构的熔化行为进行了计算模拟.结果表明:径向尺寸对Pt0.95Ag0.05合金纳米线的熔点影响较为显著,而长度对其影响较小;引入林德曼因子得到的熔点和用势能-温度变化曲线找到的熔点基本一致;合金纳米线的染色原子由外向内运动;综合分析发现Pt0.95Ag0.05合金纳米线以先外后内的模式进行熔化.     

Structural evolution of self‐assisted GaAs nanowires grown on Si(111)

GaAs nanowires are grown on Si(111) by self‐assisted molecular beam epitaxy, and the ratio between wurtzite and zinc‐blende phases is determined as function of nanowire length using asymmetric X‐ray diffraction. We show that under the applied growth conditions, nanowires grow in both phases during the initial stage of growth, whereas the zinc‐blende content increases with growth time and dominates in long nanowires. Compared to the zinc‐blende units, the vertical lattice parameter of the wurtzite segments is 0.7% larger, as measured by the positions of respective diffraction peaks. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

超细Pt纳米线结构和熔化行为的分子动力学模拟研究

基于EAM原子嵌入势, 对临界尺寸下的自由Pt纳米线的奇异结构和熔化行为进行分子动力学模拟. 模拟结果显示, 超细Pt纳米线的熔点随径向尺寸和结构的不同而发生明显改变; 引入林德曼因子, 令其临界值为0.03, 以此得到对应熔点值大小与通过势能-温度变化曲线找出的一致, 又比较了纳米线各层粒子平均林德曼指数的大小, 对各层纳米结构的热稳定性进行定量标度; 综合分析发现螺旋结构纳米线的熔化从内核开始, 而多边形结构的纳米线的熔化从外壳层开始.     

等离子体增强化学气相沉积法实现硅纳米线掺硼

用等离子体增强化学气相沉积(PECVD)方法成功实现硅纳米线的掺B.选用Si片作衬底，硅烷 （SiH4）作硅源，硼烷（B2H6）作掺杂气体， Au作催化剂，生长温度440℃.基于气-液-固(VLS)机制，探讨了掺B硅纳米线可能的生长机制.PECVD法化学成分配比更灵活，更容易实现纳米线掺杂，进一步有望生长硅纳米线pn结，为研制纳米量级器件提供技术基础. 关键词： 硅纳米线 化学气相沉积 纳米器件     

Etching of silicon nanowires on Ag(1 1 0) by atomic hydrogen

Scanning Tunnelling Microscopy, High Resolution Electron Energy Loss Spectroscopy and High Resolution X-Ray Photoelectron Spectroscopy have been used to study the adsorption of atomic hydrogen onto Si nanowires grown on Ag(1 1 0). We demonstrate that the hydrogen strongly interacts with the Si nanowires modifying their structural and electronic properties. Hydrogen atoms etch the Si nanowires and eventually lead to their complete removal from the Ag(1 1 0) surface.     

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.     

Heat capacity of isotopically enriched Si, Si and Si in the temperature range 4 K<T<100 K

The heat capacity of isotopically enriched ²⁸Si, ²⁹Si, ³⁰Si samples has been measured in the temperature range between 4 and 100 K. The heat capacity of Si increases with isotopic mass. The values of the initial Debye temperature Θ_D(0) for the three isotopic varieties of silicon have been determined. Good agreement with the theoretical dependence of the heat capacity on isotopic mass has been found.     

硅(001)图形衬底上锗硅纳米线的定位生长

纳米线的定位生长是实现纳米线量子器件寻址和集成的前提.结合自上而下的纳米加工和自下而上的自组装技术,通过分子束外延生长方法,在具有周期性凹槽结构的硅(001)图形衬底上首先低温生长硅锗薄膜然后升温退火,实现了有序锗硅纳米线在凹槽中的定位生长,锗硅纳米线的表面晶面为(105)晶面.详细研究了退火温度、硅锗的比例及图形周期对纳米线形成与否,以及纳米线尺寸的影响.