纳米铜团簇凝结规律的分子动力学研究

Freezing processes of liquid Cu nanoclusters with atoms of 147,309 and 561 are performed by means of molecular dynamics, which show that the structures of the obtained solid nanoclusters at room temperature arc, governed by the cooling rate and the cluste

纳米铜团簇在常温和升温过程中能量特征的分子动力学研究

采用分子动力学方法和F-S多体势函数，模拟研究纳米铜团簇常温下能量特征及其在升温直到熔化过程中的变化，确定了常温下纳米铜团簇的表面原子厚度和表面能，给出在不同温度下纳米铜团簇能量大小分布比例和能量的概率密度，细致描述了团簇升温过程团簇内部原子和表面原子之间不同的变化特征。

纳米铜团簇扩散性质研究

本文通过分子动力学模拟研究了纳米铜团簇的自扩散性质,结果表明Nc8949铜团簇自扩散系数随温度的升高而增大,在温度为1000 K时纳米铜团簇的扩散系数随团簇半径的倒数基本呈线性增加.同时指出在常温下团簇几乎无扩散行为,而某些文献中关于常温下晶粒扩散分子动力学模拟结果是模拟体系宏观转动造成的虚假现象.

Synthesis and characterizations of Al-doped Zn0.95Ni0.05O nanocrystals

Nanocrystalline Zn0.95-xNi0.05AlxO (x = 0.01, 0.02, 0.05 and 0.10) diluted magnetic semiconductors have been synthesized by an autocombustion method. X-ray absorption spectroscopy, high-resolution transmission electron microscopy, energy-dispersive spectrometry and Ni 2p core-level photoemission spectroscopy analyses revealed that some of the nickel ions were substituted for Zn2+ into the ZnO matrix while others gave birth to NiO nanoclusters embedded in the ZnO particles. The Zn0.95Ni0.05O sample showed no enhancement of room-temperature ferromagnetism after Al doping. (C) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

New approaches for enhancing light emission from Er-based materials and devices

In this work, we present some approaches recently developed for enhancing light emission from Er-based materials and devices. We have investigated the luminescence quenching processes limiting quantum efficiency in light-emitting devices based on Si nanoclusters (Si nc) or Er-doped Si nc. It is found that carrier injection, while needed to excite Si nc or Er ions through electron-hole recombination, at the same time produces an efficient non-radiative Auger de-excitation with trapped carriers. A strong light confinement and enhancement of Er emission at 1.54 μm in planar silicon-on-insulator waveguides containing a thin layer (slot) of SiO2 with Er-doped Si nc at the center of the Si core has been obtained. By measuring the guided photoluminescence from the cleaved edge of the sample, we have observed a more than fivefold enhancement of emission for the transverse magnetic mode over the transverse electric one at room temperature. Slot waveguides have also been integrated with a photonic crystal (PhC), consisting of a triangular lattice of holes. An enhancement by more than two orders of magnitude of the Er near-normal emission is observed when the transition is in resonance with an appropriate mode of the PhC slab. Finally, in order to increase the concentration of excitable Er ions, a completely different approach, based on Er disilicate thin films, has been explored. Under proper annealing conditions crystalline and chemically stable Er2Si2O7 films are obtained; these films exhibit a strong luminescence at 1.54 μm owing to the efficient reduction of the defect density. © 2008 Elsevier B.V. All rights reserved.

Erbium doped materials for a Si-based microphotonics

We have investigated the role of the Si excess on the photoluminescence properties of Er doped substoichiometric SiOx layers. We demonstrate that the Si excess has two competing roles: when agglomerated to form Si nanoclusters (Si-nc) it enhances the Er excitation efficiency but it also introduces new non-radiative decay channels. When Er is excited through an energy transfer from Si-nc, the beneficial effect on the enhanced excitation efficiency prevails and the Er emission increases with increasing Si content. Nevertheless the maximum excited Er fraction is only of the order of percent. In order to increase the concentration of excited Er ions, a different approach based on Er silicate thin film has been explored. Under proper annealing conditions, an efficient luminescence at 1535 nm is found and all of the Er ions in the material is optically active. The possibility to efficiently excite Er ions also through electron-hole mediated processes is demonstrated in nanometer-scale Er-Si-O/Si multilayers. These data are presented and discussed.

Enhanced light emission in active silicon-on-insulator photonic crystal slabs and slot waveguides

We present experimental measurements on Silicon-on-insulator (SOI) photonic crystal slabs with an active layer containing Er3+ ions-doped Silicon nanoclusters (Si-nc), showing strong enhancement of 1.54 μm emission at room temperature. We provide a systematic theoretical analysis to interpret such results. In order to get further insight, we discuss experimental data on the guided luminescence of unpatterned SOI planar slot waveguides, which show enhanced light emission in transverse-magnetic (TM) modes over transverse-electric (TE) ones. ©2007 IEEE.

Growth Parameter Dependence of Structural Characterizations of Diluted Magnetic Semiconductor (Ga, Cr)As

We report the influence of growth parameters and post-growth annealing on the structural characterizations and magnetic properties of (Ga, Cr)As films. The crystalline quality and magnetic properties are sensitive to the growth conditions. The single-phase (Ga, Cr)As film with the Curie temperature of 10 K is synthesized at growth temperature T-s = 250 degrees C and with nominal Cr content x = 0.016. However, for the films with x > 0.02, the aggregation of Cr atoms is strongly enhanced as both T. and x increase, which not only brings strong compressive strain in the epilayer, but also roughens the surface. The origin of room-temperature ferromagnetism in (Ga, Cr)As films with nanoclusters is also discussed.

Anomalous temperature dependence of photoluminescence from stoichiometric GD(2)O(3-x) film

A stoichiometric Gd2O3-x thin film has been grown on a silicon (10 0) substrate with a low-energy dual ion-beam epitaxial technique. Gd2O3-x shares Gd2O3 structures although there are many oxygen deficiencies in the film. The photoluminescence (PL) measurements have been performed in a temperature range 5-300 K. The detailed characters of the peak position, the full-width at half-maximum (FWHM) and the peak intensity at different temperature were reported. An anomalous intensity behavior of the PL spectra has been observed, which is similar to that of some other materials such as porous silicon and silicon nanocrystals in silicon dioxide. Therefore, we suggest that the nanoclusters with the oxygen deficiencies contribute to the PL emission and employ the model of singlet-triplet exchange splitting of exciton to discuss the four peaks observed in the experiment. (C) 2003 Elsevier B.V. All rights reserved.

Alloy compositional fluctuation in InAlGaN epitaxial films

The quaternary InAlGaN films were grown by metal-organic vapor phase epitaxy (MOVPE) at various temperatures and the optical and structural properties of the quaternary films were investigated by temperature-dependent photoluminescence (PL), high-resolution X-ray diffraction (HRXRD) and high-resolution electron microscopy (HREM). The results show that the temperature-dependent PL intensity of the InAlGaN film is similar to that of the disordered alloys, which is thought to be due to local alloy compositional fluctuations (ACF) in the epilayer. HRXRD measurement reveals there are In-rich and In-poor phases in the film and HREM observation, on the other hand, demonstrates that nanoclusters formed in the epilayer. Therefore the experimental results support the existence of ACF in the epilayers.

Metal catalysis-free, direction-controlled planar growth of single-crystalline alpha-Si3N4 nanowires on Si(100) substrate

Single-crystalline alpha-Si3N4 nanowires are controlled to grow perpendicular to the wet-etched trenches in the SiO0.94 film on the plane of the Si substrate without metal catalysis. A detailed characterization is carried out by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The photoluminescence at 600 nm from alpha-Si3N4 nanowires is attributed to the recombination at the defect state formed by the Si dangling bond N3 equivalent to Si-center dot. The growth mechanism is considered to be related to the catalysis and nitridation of SiO nanoclusters preferably re-deposited around the inner corner of the trenches, as well as faster Si diffusion along the slanting side walls of the trenches. This simple direction-controlled growth method is compatible with the CMOS process, and could facilitate the fabrication of alpha-Si3N4 nanoelectronic or nanophotonic devices on the Si platform.

Photoluminescence behaviors from stoichiometric gadolinium oxide films

Stoichiometric gadolinium oxide thin films have been grown on silicon (100) substrates with a low-energy dual ion-beam epitaxial technique. Gadolinium oxide shares Gd2O3 structures although the ratio of gadolinium and oxygen in the film is about 2:1 and a lot of oxygen deficiencies exist. Photoluminescence (PL) measurements have been carried out within a temperature range of 5-300 K. The detailed characters of the PL emission integrated intensity, peak position, and peak width at different temperature were reported and an anomalous photoluminescence behavior was observed. The character of PL emission integrated intensity is similar to that of some other materials such as porous silicon and silicon nanocrystals in silicon dioxide. Four peaks relative to alpha band and beta band were observed also. Therefore we suggest that the nanoclusters with the oxygen deficiencies contribute to the PL emission and the model of singlet-triplet exchange splitting of exciton was employed for discussion. (C) 2003 American Institute of Physics.

Pressure dependence of Mn2+ luminescence in differently sized ZnS : Mn nanoparticles

The pressure behavior of Mn2+ emission in the 10-, 4.5-, 3.5-, 3-, and 1-nm-sized ZnS:Mn2+ nanoparticles is investigated. The emission shifts to lower energies with increasing pressure, and the shift rate (the absolute value of the pressure coefficient) is larger in the ZnS:Mn2+ nanoparticles than in bulk. The pressure coefficient increases with the decrease in particle size with the 1-nm-sized particles as an exception. Pressure coefficient calculations based on the crystal field theory are in agreement with the experimental results. The pressure dependence of the emission intensity is also size dependent. For nanoparticles 1 and 3 nm in size, the luminescence intensity of Mn2+ decreases dramatically with increasing pressure, while, for bulk and particles with average sizes of 3.5, 4.5, and 10 nm, the luminescence intensity of Mn2+ is virtually unchanged at different pressures. The bandwidth increases faster with increasing pressure for smaller particles. This is perhaps due to the fact that there are more Mn2+ ions at the near-surface sites and because the phonon frequency is greater for smaller particles. These new phenomena provide some insight into the luminescence behavior of Mn2+ in ZnS:Mn2+ nanoparticles.

Temperature behaviour of the orange and blue emissions in ZnS : Mn nanoparticles

The temperature dependences of the orange and blue emissions in 10, 4.5, and 3 nm ZnS:Mn nanoparticles were investigated. The orange emission is from the T-4(1)-(6)A(1) transition of Mn2+ ions and the blue emission is related to the donor-acceptor recombination in the ZnS host. With increasing temperature, the blue emission has a red-shift. On the other hand, the peak energy of the orange emission is only weakly dependent on temperature. The luminescence intensity of the orange emission decreases rapidly from 110 to 300 K for the 10 nm sample but increases obviously for the 3 nm sample, whereas the emission intensity is nearly, independent of temperature for the 4.5 nm sample. A thermally activated carrier-transfer model has been proposed to explain the observed abnormal temperature behaviour of the orange emission in ZnS:Mn nanoparticles.

Silicon nanowires grown on a pre-annealed Si substrate

Polycrystalline Si nanowires (poly SiNWS) were successfully synthesized by plasma-enhanced chemical vapor deposition (PECVD) at 440degreesC using silane as the Si source and Au as the catalyst. The diameters of Si nanowires range from 15 to 100nm. The growth process indicates that to fabricate SiNWS by PECVD, pre-annealing at high temperature is necessary. A few interesting nanowires with Au nanoclusters uniformly distributed in the body of the wire were also produced by this technique. (C) 2002 Elsevier Science B.V. All rights reserved.