First-principles study of transition metal impurities in Si

By using ab initio electronic structure calculations within density functional theory, we study the structural, electronic, and magnetic properties of Si doped with a transition metal impurity. We consider the transition metals of the 3d series V, Cr, Mn, Fe, Co, and Ni. To get insight into the level filling mechanism and the magnetization saturation, we first investigate the transition metal-Si alloys in the zinc-blende structure. Next, we investigate the doping of bulk Si with a transition metal atom, in which it occupies the substitutional site, the interstitial site with tetrahedral symmetry, and the interstitial site with hexagonal symmetry. It is found that all of these transition metal impurities prefer an interstitial position in Si. Furthermore, we show that it is possible to interpret the electronic and magnetic properties by using a simple level filling picture and a comparison is made to Ge doped with the same transition metal atoms. In order to get insight into the effect of a strained environment, we calculate the formation energy as a function of an applied homogeneous pressure and we show that an applied pressure can stabilize the substitutional position of transition metal impurities in Si. Finally, the energies of the ferromagnetic states are compared to those of the antiferromagnetic states. It is shown that the interstitial site of the Mn dopant helps us to stabilize the nearest neighbor substitutional site to realize the ferromagnetic state. For doping of Si with Cr, a ferrimagnetic behavior is predicted.

Well-Aligned Zn-Doped InN Nanorods Grown by Metal-Organic Chemical Vapor Deposition and the Dopant Distribution

We report the synthesis and characterization of Zn-doped InN nanorods by metal-organic chemical vapor deposition. Electron microscopy images show that the InN nanorods are single-crystalline structures and vertically well-aligned. Energy-dispersive X-ray spectroscopy analyses suggest that Zn ions are distributed nonhomogenously in InN nanorods. Simulations based on diffusion model show that the doping concentration along the radial direction of InN nanorod is bowl-like from the exterior to the interior, the doping concentration decreases, and Such dopant distribution result in a bimodal EDXS spectrum of Zn across the nanorod. The study of the mechanism of doping effect is useful for the design of InN-based nanometer devices. Also, high-quality Zn-doped InN nanorods will be very attractive as building blocks for nano-optoelectronic devices.'

Hexagonal selenium nanowires synthesized via vapor-phase growth

Hexagonal Se nanowires were synthesized using a simple vapor-phase growth with the assistance of the silicon powder as a source material, which turned out to be very important in the growth of the Se nanowires. The morphology, microstructure, and chemical compositions of the nanowires were characterized using various means (XRD, SEM, TEM, XPS, and Raman spectroscopy). The possible growth mechanism of the Se nanowires was explained. The as-grown Se nanowires may find wide applications in biology and optoelectronics.

Laterally confined modes in wet-etched, metal-coated, quantum-dot-inserted pillar microcavities

We report the fabrication and the measurement of microcavities whose optical eigenmodes were discrete and were well predicted by using the model of the photonic dot with perfectly reflected sidewalls. These microcavities were consisted of the semiconductor pillar fabricated by the simple wet-etched process and successive metal coating. Angle-resolved photoluminescence spectra demonstrate the characteristic emission of the corresponding eigenmodes, as its pattern revealed by varying both polar (0) and azimuthal (45) angles. It is shown that the metal-coated sidewalls can provide an efficient way to suppress the emission due to the leaking modes in these pillar microcavities.

Artificial nanograting woven by self-assembled nanowires

We report on a new simple route to realize a high resolution nanograting. By adopting an InAlGaAs matrix and strain-compensated technique, we have proved that a uniform self-assembled InAs nanowire array can be fabricated by molecular beam epitaxy (MBE). A nanograting woven by self-assembled semiconductor nanowires shows a conspicuous diffraction feature. The good agreement between the theoretical and experimental values of diffraction peak positions indicates that a uniform nanowire array is a promising nanograting. This simple one-step MBE growth method will open exciting opportunities for the field of clever optics design.

InN nanoflowers grown by metal organic chemical vapor deposition

Hexangular indium nitride nanoflower pattern is observed from scanning electron microscopy and atomic force microscopy. The sample is grown on c-plane (0001) sapphire by metal organic chemical vapor deposition with intentional introduction of hydrogen gas. With the aid of hydrogen, a stable existence of metallic indium is achieved. This will induce the growth of InN nanoflowers via self-catalysis vapor-liquid-solid (VLS) process. It is found that the VLS process is modulated by the interface kinetics and thermodynamics among the sapphire substrate, indium, and InN, which leads to the special morphology of the authors' InN nanoflower pattern. (c) 2006 American Institute of Physics.

Nitrogen vacancy scattering in GaN grown by metal-organic vapor phase epitaxy

Electron mobility limited by nitrogen vacancy scattering was taken into account to evaluate the quality of n-type GaN grown by metal-organic vapor phase epitaxy. Two assumptions were made for this potential for the nitrogen vacancy (1) it acts in a short range, and (2) does not diverge at the vacancy core. According to the above assumptions, a general expression to describe the scattering potential U(r) = - U-0 exp[- (r/beta)(n)], (n = 1, 2,...,infinity) was constructed, where beta is the potential well width. The mobilities for n = 1, 2, and infinity were calculated based on this equation, corresponding to the simple exponential, Gaussian and square well scattering potentials, respectively. In the limiting case of kbeta << 1 (where k is the wave vector), all of the mobilities calculated for n = 1, 2, and infinity showed a same result but different prefactor. Such difference was discussed in terms of the potential tail and was found that all of the calculated mobilities have T-1/2 temperature and beta(-6) well width dependences. A mobility taking account of a spatially complicate scattering potential was studied and the same temperature dependence was also found. A best fit between the calculated results and experimental data was obtained by taking account of the nitrogen vacancy scattering. (C) 2002 Elsevier Science Ltd. All rights reserved.

High-performance 980-nm quantum-well lasers using a hybrid material system of an Al-free InGaAs-InGaAsP active region and AlGaAs cladding layers grown by metal-organic chemical vapor deposition

We report on the material growth and fabrication of high-performance 980-nm strained quantum-well lasers employing a hybrid material system consisting of an Al-free InGaAs-InGaAsP active region and AlGaAs cladding layers. The use of AlGaAs cladding instead of InGaP provides potential advantages in flexibility of laser design, simple epitaxial growth, and improvement of surface morphology and laser performance. The as-grown InGaAs-InGaAsP(1.6 eV)-AlGaAs(1.95 eV) lasers achieve a low threshold current density of 150 A/cm(2) (at a cavity length of 1500 mu m), internal quantum efficiency of similar to 95%, and low internal loss of 1.8 cm(-1). Both broad-area and ridge-waveguide laser devices are fabricated. For 100-mu m-wide stripe lasers with a cavity length of 800 Irm, a slope efficiency of 1.05 W/A and a characteristic temperature coefficient (T-0) of 230 K are achieved. The lifetime test demonstrates a reliable performance. The comparison with our fabricated InGaAs-InGaAsP(1.6 eV)-AlGaAs(1.87 eV) lasers and Al-free InGaAs-InGaAsP (1.6 eV)-InGaP lasers are also given and discussed. The selective etching between AlGaAs and InGaAsP is successfully used for the formation of a ridge-waveguide structure. For 4-mu m-wide ridge-waveguide laser devices, a maximum output power of 350 mW is achieved. The fundamental mode output power can be up to 190 mW with a slope efficiency as high as 0.94 W/A.

The role of zinc dopant and the temperature effect on the controlled growth of InNnanorods in metal-organic chemical vapor deposition system

This work was supported by the National Science Foundation of China (60976008 and 60776015), the Special Funds for Major State Basic Research Project (973 program) of China (2006CB604907), and the 863 High Technology R&D Program of China (2007AA03Z402 and 2007AA03Z451). The authors express their appreciations to Prof. Yongliang Li (Analytical and Testing Center, Beijing Normal University) for FE-SEM measurements, to DrTieying Yang and Prof. Huanhua Wang (Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences) for XRD measurements and helpful discussions.

A Simple and Inexpensive Method for Fabrication of Ultramicroelectrode Array and Its Application for the Detection of Dissolved Oxygen

Herein, we report a simple and inexpensive way for fabrication of ultra microelectrode arrays (UMEAs) and the relative characterization methods. The fabrication of UMEAs involves only a few steps of handwork. Since only metal wires and epoxy are used through the fabrication process, it is supposed to be a quite straightforward method for preparing UMEAs. A dissolved oxygen (DO) sensor based on UMEAs was constructed.

Ultrathin platinum-group metal coated hierarchical flowerlike gold microstructure: Electrochemical design and characterization

The deliberate tailoring of hierarchical flowerlike gold microstructure (HFGMs) at the ultrathin level is an ongoing challenge and could introduce opportunities for new fabrication and application in many fields. In this paper. a templateless, surfactantless, electrochemical strategy for fabrication of ultrathin platinum-group metal coated HFGMs is proposed. HFGMs were prepared by simple electrodeposition on an indium tin oxide (ITO) substrate.

An effective method for enhancing metal-ions' selectivity of ionic liquid-based extraction system: Adding water-soluble complexing agent

Selective extraction-separation of yttrium(Ill) from heavy lanthanides into 1-octyl-3-methylimidazolium hexafluorophosphate ([C(8)mim][PF6]) containing Cyanex 923 was achieved by adding a water-soluble complexing agent (EDTA) to aqueous phase. The simple and environmentally benign complexing method was proved to be an effective strategy for enhancing the selectivity of [C(n)mim] [PF6]/[Tf2N]-based extraction system without increasing the loss of [C(n)mim](+). (c) 2007 Elsevier B.V. All rights reserved.

Ag2S morphology controllable via simple template-free solution route

Different morphologies of Ag2S nano- and micro-materials, including spokewise micrometer bars, microfibers, nanowires, worm-like nanoparticles and nanopolyhedrons have been obtained controllably by a facile one-step method at room temperature. Powder X-ray diffraction (XRD), X-ray photo-electron spectroscopy (XPS) and scanning electron microscope (SEM) were employed to characterize the structure and compositions of those nanomaterials. Furthermore, ultraviolet visible (UV-vis) spectra of Ag2S with different morphologies show different spectral features.

Controllable synthesis of gold nanowires

In this work, we demonstrate a new and simple method for preparing Au nanowires by ethanol reduction of hydrogen tetrachloroaurate (HAuCl4) without additional capping agents by a thermal process. The resulting products were investigated by UV-vis spectroscopy. transmission electron microscopy (TEM) and X-ray diffraction (XRD). The results indicated that the size and shape of the Au nanocrystals could be controlled by systematic variation of the experimental parameters including the concentration of HAuCl4 in the reaction solution, heating temperature and reaction time.

Strings of interconnected hollow carbon nanoparticles with porous shells prepared using simple solid-phase synthesis

Strings of interconnected hollow carbon nanoparticles with porous shells were prepared by simple heat-treatments of a mixture of resorcinol-formaldehyde gel and transition-metal salts. The sample was characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction and nitrogen adsorption. Results show that the sample consisted of relatively uniform hollow particles with sizes ranging from 70 to 80 nm forming a strings-of-pearls-like nanostructure. The material with porous shells possessed well-developed graphitic structure with an interlayer (d(002)) spacing of 0.3369 nm and the stack height of the graphite crystallites of 9 nm.