First-principles study of native defects in rutile TiO2

Native point defects in the rutile TiO2 are studied via first-principles pseudopotential calculations. Except for the two antisite defects, all the native point defects have low formation energies. Under the Ti-rich growth condition, high concentrations of titanium interstitials and oxygen vacancies would form spontaneously in p-type samples; whereas high concentrations of titanium vacancies would form spontaneously in n-type samples regardless of the oxygen partial pressure. (c) 2007 Elsevier B.V. All rights reserved.

Investigation of native defects and property of bulk ZnO single crystal grown by a closed chemical vapor transport method

Hall effect, Raman scattering, photoluminescence spectroscopy (PL), optical absorption (OA), mass spectroscopy, and X-ray diffraction have been used to study bulk ZnO single crystal grown by a closed chemical vapor transport method. The results indicate that shallow donor impurities (Ga and Al) are the dominant native defects responsible for n-type conduction of the ZnO single crystal. PL and OA results suggest that the as-grown and annealed ZnO samples with poor lattice perfection exhibit strong deep level green photoluminescence and weak ultraviolet luminescence. The deep level defect in as-grown ZnO is identified to be oxygen vacancy. After high-temperature annealing, the deep level photoluminescence is suppressed in ZnO crystal with good lattice perfection. In contrast, the photoluminescence is nearly unchanged or even enhanced in ZnO crystal with grain boundary or mosaic structure. This result indicates that a trapping effect of the defect exists at the grain boundary in ZnO single crystal. (C) 2007 Elsevier B.V. All rights reserved.

Magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO: First-principles calculations

The electronic structure and magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO have been investigated using first-principles methods. We show that the magnetic coupling between Gd or Nd ions in the nearest neighbor sites is ferromagnetic. The stability of the ferromagnetic coupling between Gd ions can be enhanced by appropriate electron doping into ZnO Gd system and the room-temperature ferromagnetism can be achieved. However, for ZnO Nd system, the ferromagnetism between Nd ions can be enhanced by appropriate holes doping into the sample. The room-temperature ferromagnetism can also be achieved in the n-conducting ZnO Nd sample. Our calculated results are in good agreement with the conclusions of the recent experiments. The effect of native defects (V-Zn, V-O) on the ferromagnetism is also discussed. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3176490]

Modeling the dynamics of Si wafer bonding during annealing

The bonding behavior of silicon wafers depends on activation energy for the formation of siloxane bonds. In this article we developed a quantitative model on the dynamics of silicon wafer bonding during annealing. Based on this model, a significant difference in the bonding behaviors is compared quantitatively between the native oxide bonding interface and the thermal oxide bonding interface. The results indicate that the bonding strength of the native oxide interface increases with temperature much more rapidly than that of the thermal oxide interface. (C) 2000 American Institute of Physics. [S0021-8979(00)05520-1].

Native-oxidized InAlAs blocking layer buried heterostructure InGaAsP-InP MQW laser for high-temperature operation

A novel idea of InAlAs native oxide utilized to replace the p-n-p-n thyristor blocking layer and improve the high-temperature performance of buried heterostructure InGaAsP-InP laser is first proposed and demonstrated. A characteristic temperature (T-0) of 50 K is achieved from an InA1As native oxide buried heterostructure (NOBH) InGaAsP-InP multiquantum-well laser with 1.5-mu m-wide diode leakage passage path. The threshold current and slope efficiency of NOBH laser changes from 5.6 mA, 0.23 mW/mA to 28 mA, 0.11 mW/mA with the operating temperature changing from 20 degrees C to 100 degrees C. It is comparable to conventional p-n reverse biased junction BH laser with minimized diode leakage current, and is much better than the buried ridge strip with proton implanted laterally confinement laser.

Native deep level defects in ZnO single crystal grown by CVT method - art. no. 68410I

Hall effect, photoluminescence (PL), infrared absorption, deep level transient spectroscopy (DLTS), and Raman scattering have been used to study property and defects of ZnO single crystal grown by a chemical vapor transport method (CVT). As-grown ZnO is N type with free electron density Of 10(16)-10(17)cm(-3). It has a slight increase after 900 degrees C annealing in oxygen ambient. The DLTS measurement revealed four deep level defects with energy at 0.30eV, 0.50eV, 0.68eV and 0.90eV in the as-grown ZnO sample, respectively. After the high temperature annealing, only the 0.5eV defect survive and has a concentration increase. PL results of the as-grown and annealed ZnO indicate that the well-known green emission disappear after the annealing. The result suggests a correlation between the 0.68eV defect and the green PL peak. Results of P-doped ZnO were also compared with the undoped ZnO sample. The nature of the defects and their influence on the material property have been discussed.

Native oxided AlAs current blocking layer for AIGaInP high brightness light emitting diodes

Native Oxide AlAs layer were employed to block the current injection from the tup anode. The luminous intensity exceeded 75 mcd of the LED chip with native oxide AlAs layer sandwiched 5 mu m AlGaAs current spreading layer under 20 mA current injection. Electrical and optical properties the LED chip and plastically sealed lamp were measured. Aging of the LED chip and lamp were performed under 70 degrees C and room temperature, Experiment results shown that there is no apparent effect of the native oxided AlAs layer and the process on the reliability of the LED devices.

N2O fluxes from the native and grazed semi-arid steppes and their driving factors in Inner Mongolia, China

This paper presents results of 2 years (from January 2005 to December 2006) of measurement of N2O fluxes from the native and grazed Leymus chinensis (LC) steppes in Inner Mongolia, China using the static opaque chamber method. The measurement was at a frequency of twice per month in the growing season and once per month in the non-growing season. In addition, the possible effect of water-heat factors on N2O fluxes was statistically analyzed. The results indicated that there were distinct seasonal patterns in N2O fluxes with large fluxes in spring, summer, and autumn but negative fluxes in winter. The annual net emission of N2O ranging from 0.24 to 0.30 kg N2O-N ha(-1) and from 0.06 to 0.26 kg N2O-N ha(-1) from the native and grazed LC steppe, respectively. Grazing activities suppressed N2O production. In the growing season, soil moisture was the primary driving factor of N2O fluxes. The high seasonal variation of N2O fluxes was regulated by the distribution of effective rainfall, rather than precipitation intensity. Air temperature or soil temperature at 0, 5, and 10 cm depth was the most restricting factor of N2O fluxes in the non-growing season.

Localization of Na+-K+ ATPases in Quasi-Native Cell Membranes

Na+-K+ ATPases have been observed and located by in situ AFM and single molecule recognition technique, topography and recognition imaging (TREC) that is a unique technique to specifically identify single protein in complex during AFM imaging. Na+-K+ ATPases were well distributed in the inner leaflet of cell membranes with about 10% aggregations in total recognized proteins. The height of Na+-K+ ATPases measured by AFM is in the range of 12-14 nm, which is very consistent with the cryoelectron microscopy result. The unbinding force between Na+-K+ ATPases in the membrane and anti-ATPases on the AFM tip is about 80 pN with the apparent loading rate at 40 nN/s.

Native growth of vertically pattened ZnO nanowire arrays under mild conditions without templates or catalysts

Based on the implications of a pellet experiment,we have designed and implemented a low temperature(≤90℃) approach to generate native patterned,vertically aligned ZnO nanoarrys without any templates or catalysts.This simple,economic and spontaneous patterning process offers a promising avenue for overcoming several inherent limitations of the artificial manners[1].While the purity,orientation and electrical properties of the as prepared materials allow them to be applied in various fields.

Structural analysis of saponins from medicinal herbs using electrospray ionization tandem mass spectrometry

The underivatized saponins from Tribulus terrestris and Panax ginseng have been investigated by electrospray ionization multi-stage tandem mass spectrometry (ESI-MSn). In ESI-MS spectra, a predominant [M + Na](+) ion in positive mode and [M - H](-) ion in negative mode were observed for molecular mass information. Multi-stage tandem mass spectrometry of the molecular ions was used for detailed structural analysis. Fragment ions from glycoside cleavage can provide information on the mass of aglycone and the primary sequence and branching of oligosaccharide chains in terms of classes of monosaccharides. Fragment ions from cross-ring cleavages of sugar residues can give some information about the linkages between sugar residues. It was found that different alkali metal-cationized adducts with saponins have different degrees of fragmentation, which may originate from the different affinity of a saponin with each alkali metal in the gas phase. ESI-MSn has been proven to be an effective tool for rapid determination of native saponins in extract mixtures, thus avoiding tedious derivatization and separation steps.

In-situ FTIR study on adsorption and oxidation of native and thermally denatured calf thymus DNA at glassy carbon electrodes

In-situ Fourier transform infra-red (FTIR) spectra of native and thermally denatured calf thymus DNA (CT DNA) adsorbed and/or oxidized at a glassy carbon (GC) electrode surface are reported. The adsorption of native DNA occurs throughout the potential range (-0.2 similar to 1.3 V) studied, and the adsorbing state of DNA at electrode surface is changed from through the C=O band of bases and pyrimidine rings to through the C=O of cytosine and imidazole rings while the potential shifts negatively from 1.3 V to -0.2 V. An in-situ FTIR spectrum of native CT DNA adsorbed at GC electrode surface is similar to that of the dissolved DNA, indicating that the structure of CT DNA is not distorted while it is adsorbed at the GC electrode surface. In the potential range of -0.2 similar to 1.30 V, the temperature-denatured CT DNA is adsorbed at the electrode surface first, then undergoes electrochemical oxidation reaction and following that, diffuses away from the electrode surface. (C) 2001 Elsevier Science B.V. All rights reserved.