A hybrid density functional view of native vacancies in gallium nitride.

We investigated the transition energy levels of the vacancy defects in gallium nitride by means of a hybrid density functional theory approach (DFT). We show that, in contrast to predictions from a recent study on the level of purely local DFT, the inclusion of screened exchange stabilizes the triply positive charge state of the nitrogen vacancy for Fermi energies close to the valence band. On the other hand, the defect levels associated with the negative charge states of the nitrogen vacancy hybridize with the conduction band and turn out to be energetically unfavorable, except for high n-doping. For the gallium vacancy, the increased magnetic splitting between up-spin and down-spin bands due to stronger exchange interactions in sX-LDA pushes the defect levels deeper into the band gap and significantly increases the associated charge transition levels. Based on these results, we propose the ϵ(0| - 1) transition level as an alternative candidate for the yellow luminescence in GaN.

First-principle study of native defects in CuScO2 and CuYO2

This paper studies the electronic structure and native defects intransparent conducting oxides CuScO2 and CuYO2 using the first-principle calculations. Some typical native copper-related and oxygen-related defects, such as vacancy, interstitials, and antisites in their relevant charge state are considered. The results of calculation show that, CuMO2 (M = Sc, Y) is impossible to shown-type conductivity ability. It finds that copper vacancy and oxygen interstitial have relatively low formation energy and they are the relevant defects in CuScO2 and CuYO2. Copper vacancy is the most efficient acceptor, and under O-rich condition oxygen antisite also becomes important acceptor and plays an important role in p-type conductivity.

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.

The bipolar doping of ZnS via native defects and external dopants

By employing first-principle total-energy calculations, a systematic study of the dopability of ZnS to be both n- and p-types compared with that of ZnO is carried out. We find that all the attempted acceptor dopants, group V substituting on the S lattice site and group I and IB on the Zn sites in ZnS, have lower ionization energies than the corresponding ones in ZnO. This can be accounted for by the fact that ZnS has relative higher valence band maximum than ZnO. Native ZnS is weak p-type under S-rich condition, as the abundant acceptor V-Zn has rather large ionization energy. Self-compensations by the formation of interstitial donors in group I and IB-doped p-type ZnS can be avoided when sample is prepared under S-rich condition. In terms of ionization energies, Li-Zn and N-S are the preferred acceptors in ZnS. Native n- type doping of ZnS is limited by the spontaneous formation of intrinsic V-Zn(2-); high efficient n-type doping with dopants is harder to achieve than in ZnO because of the readiness of forming native compensating centers and higher ionization energy of donors in ZnS. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3103585]

Self-aligned current aperture in native oxidized AlInAs buried heterostructure InGaAsP/InP distributed feedback laser

A InGaAsP/InP self-aligned, native oxidized buried heterostructure (BH) distributed feedback (DFB) laser is proposed. It is as easy to process as the ridge waveguide DFB laser and has superior performance. The current aperture can be easily controlled without selective regrowth. The laser exhibits a low threshold of 5.0 mA with 36 dB side mode suppression ratio at the emission wavelength of 1.562 mu m. It emits in a single lobe with full width at half maximum angles of 33.6 degrees and 42.6 degrees for the lateral and vertical fields, respectively. Its beam is more circular than that of the as-grown BH laser because the lower refractive index of oxide compared to the as-grown layer and results in a larger lateral optical confinement. Its characteristic temperature (T-0) is 50 K at room temperature but increases in value at the higher temperature range. (C) 2000 American Institute of Physics. [S0003-6951(00)00812-3].

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.

Buried heterostructure InGaAsP/InP strain-compensated multiple quantum well laser with a native-oxidized InAlAs current blocking layer

An InAlAs native oxide is used to replace the p-n reverse-biased junction in a conventional buried heterostructure InP-based laser. This technique reduces the number of regrowth steps and eliminates leakage current under high-temperature operation. The InAlAs native oxide buried heterostructure (NOBH) laser with strain-compensated InGaAsP/InP multiple quantum well active layers has a threshold current of 5.6 mA, a slope efficiency of 0.23 mW/mA, and a linear power up to 22.5 mW with a HR-coated facet. It exhibits single transverse mode with lasing wavelength at 1.532 mu m. A characteristic temperature (T-0) of 50 K is obtained from the NOBH laser with a nonoptimized oxide layer width. (C) 1998 American Institute of Physics. [S0003-6951(98)01352-7].

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.