First-principles study on rutile TiO2 quantum dots

The electronic structure of rutile TiO2 quantum dots (QDs) are investigated via the first-principles band structure method. We first propose a model to passivate the rutile TiO2 surfaces for the local density approximation calculations. In this model pseudohydrogen atoms are used to passivate the surface dangling bonds, which remove the localized in-cap surface states in the TiO2 QDs. As the size of the QD decreases, the band gap evolves as E-g(dot) = E-g(bulk) + 73.70/d(1.93), where E-g(dot) and d are the band gap and diameter of the QD, and E-g(bulk) is the band gap of the bulk rutile TiO2. The valence band maximum and the conduction band minimum states of the QDs are distributed mostly in the interior of the QDs, and they well inherit the atomic characteristics of those states of the bulk rutile TiO2.

Investigation on the structural origin of n-type conductivity in InN films

This work presents a study of the correlation between the electrical properties and the structural defects in nominally undoped InN films. It is found that the density of edge-type threading dislocations (TDs) considerably affects the electron concentration and mobility in InN films. The Hall-effect measured electron concentration increases, while the Hall mobility decreases with the increase in the edge-type TD density. With the combination of secondary ion mass spectrometry and positron annihilation analysis, we suggest that donor-type point defects at the edge-type TD lines may serve as dominant donors in InN films and affect the carrier mobility.

Effect on nitrogen acceptor as Mg is alloyed into ZnO

Our Raman measurement indicates that the intensity of the peaks (510 and 645 cm(-1)) related to nitrogen concentration is enhanced in MgZnO compared with that in ZnO. Using first-principles band structure methods, we calculated the formation energy and transition energy level for nitrogen acceptor in ZnO and random MgxZn1-xO (with x=0.25) alloy. Our calculations show that the incorporation of nitrogen can be enhanced as Mg is alloyed into ZnO, which agrees with our experiments. The acceptor energy level deeper in the alloy ascribes to the downward shift of the valence-band maximum edge in the presence of magnesium. (c) 2008 American Institute of Physics.

Influence of different interlayers on growth mode and properties of InN by MOVPE

We grow InN epilayers on different interlayers by metal organic vapour phase epitaxy (MOVPE) method, and investigate the effect of interlayer on the properties and growth mode of InN films. Three InN samples were deposited on nitrided sapphire, low-temperature InN (LT-InN) and high-temperature GaN (HT-GaN), respectively. The InN layer grown directly on nitrided sapphire owns the narrowest x-ray diffraction rocking curve (XRC) width of 300 arcsec among the three samples, and demonstrates a two-dimensional (2D) step-flow-like lateral growth mode, which is much different from the three-dimensional (3D) pillar-like growth mode of LT-InN and HT-GaN buffered samples. It seems that mismatch tensile strain is helpful for the lateral epitaxy of InN film, whereas compressive strain promotes the vertical growth of InN films.

Photovoltaic effects in InGaN structures with p-n junctions

InGaN photovoltaic structures with p-n junctions have been fabricated by metal organic chemical vapour deposition. Using double-crystal X-ray diffraction measurements, it was found that the room temperature band gaps of p-InGaN and n-InGaN films were 2.7 and 2.8 eV, respectively. Values of 3.4 x 10(-2) mA cm(-2) short-circuit current, 0.43 V open-circuit voltage and 0.57 fill factor have been achieved under ultraviolet illumination (360 nm), which were related to p-n junction connected back-to-back with a Schottky barrier and many defects of the p-InGaN film. 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Simulation of In0.65Ga0.35N single-junction solar cell

The performances of In0.65Ga0.35N single-junction solar cells with different structures, including various doping densities and thicknesses of each layer, have been simulated. It is found that the optimum efficiency of a In0.65Ga0.35N solar cell is 20.284% with 5 x 10(17) cm(-3) carrier concentration of the front and basic regions, a 130 nm thick p-layer and a 270 nm thick n-layer.

A new phototransistor with uni-travelling-carrier and optically gradual coupling properties

Based on appropriate combination of different band-gap InGaAsP, a new edge-coupled two-terminal double heterojunction phototransistor (ECTT-DHPT) was designed and fabricated, which is double heterojunction, free-aluminium, and works under uni-travelling-carrier mode and optically gradual coupling mode. This device is fully compatible with monolithic micro-wave integrated circuits (MMIC) and heterojunction bipolar transistor (HBT) in material and process. The DC characteristics reveal that the new ECTT-DHPT can perform good optoelectronic mix operation and linear amplification operation by optically biased at two appropriate value respectively. Responsivity of more than 52 A/W and dark current of 70 nA (when V-EC = 1 V) were obtained.

Localized-Surface-Plasmon Enhanced the 357 nm Forward Emission from ZnMgO Films Capped by Pt Nanoparticles

The Pt nanoparticles (NPs), which posses the wider tunable localized-surface-plasmon (LSP) energy varying from deep ultraviolet to visible region depending on their morphology, were prepared by annealing Pt thin films with different initial mass-thicknesses. A sixfold enhancement of the 357 nm forward emission of ZnMgO was observed after capping with Pt NPs, which is due to the resonance coupling between the LSP of Pt NPs and the band-gap emission of ZnMgO. The other factors affecting the ultraviolet emission of ZnMgO, such as emission from Pt itself and light multi-scattering at the interface, were also discussed. These results indicate that Pt NPs can be used to enhance the ultraviolet emission through the LSP coupling for various wide band-gap semiconductors.

Structural, elastic, and electronic properties of cubic perovskite BaHfO3 obtained from first principles

We investigated the structural, elastic, and electronic properties of the cubic perovskite-type BaHfO3 using a first-principles method based on the plane-wave basis set. Analysis of the band structure shows that perovskite-type BaHfO3 is a wide gap indirect semiconductor. The band-gap is predicted to be 3.94 eV within the screened exchange local density approximation (sX-LDA). The calculated equilibrium lattice constant of this compound is in good agreement with the available experimental and theoretical data reported in the literatures. The independent elastic constants (C-11, C-12, and C-44), bulk modules B and its pressure derivatives B', compressibility beta, shear modulus G, Young's modulus Y, Poisson's ratio nu, and Lame constants (mu, lambda) are obtained and analyzed in comparison with the available theoretical and experimental data for both the singlecrystalline and polycrystalline BaHfO3. The bonding-charge density calculation make it clear that the covalent bonds exist between the Hf and 0 atoms and the ionic bonds exist between the Ba atoms and HfO3 ionic groups in BaHfO3. (C) 2009 Elsevier B.V. All rights reserved.

Nonpolar growth and characterization of InN overlayers on vertically oriented GaN nanorods

Nanostructured hexagonal InN overlayers were heteroepitaxially deposited on vertically oriented c-axis GaN nanorods by metal-organic chemical vapor deposition. InN overlayers grown in radial directions are featured by a nonpolar heteroepitaxial growth mode on GaN nanorods, showing a great difference from the conventional InN growth on (0001) c-plane GaN template. The surface of InN overlayers is mainly composed of several specific facets with lower crystallographic indices. The orientation relationship between InN and GaN lattices is found to be [0001](InN) parallel to [0001](GaN) and [1100](InN)parallel to[1100](GaN). A strong photoluminescence of InN nanostructures is observed. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3177347]

Lattice polarity detection of InN by circular photogalvanic effect

We report an effective and nondestructive method based on circular photogalvanic effect (CPGE) to detect the lattice polarity of InN. Because of the lattice inversion between In- and N-polar InN, the energy band spin splitting is opposite for InN films with different polarities. Consequently under light irradiation with the same helicity, CPGE photocurrents in In- and N-polar layers will have opposite directions, thus the polarity can be detected. This method is demonstrated by our CPGE measurements in both n- and p-type InN films.

Enhancement of conductivity and transmittance of ZnO films by post hydrogen plasma treatment

We studied the effects of hydrogen plasma treatment on the electrical and optical properties of ZnO films deposited by radio frequency magnetron sputtering. It is found that the ZnO H film is highly transparent with the average transmittance of 92% in the visible range. Both carrier concentration and mobility are increased after hydrogen plasma treatment, correspondingly, the resistivity of the ZnO H films achieves the order of 10(-3) cm. We suggest that the incorporated hydrogen not only passivates most of the defects and/or acceptors present, but also introduces shallow donor states such as the V-O-H complex and the interstitial hydrogen H-i. Moreover, the annealing data indicate that H-i is unstable in ZnO, while the V-O-H complex remains stable on the whole at 400 degrees C, and the latter diffuses out when the annealing temperature increases to 500 degrees C. These results make ZnO H more attractive for future applications as transparent conducting electrodes.

Kinetically controlled InN nucleation on GaN templates by metalorganic chemical vapour deposition

This paper presents a study on the nucleation and initial growth kinetics of InN on GaN, especially their dependence on metalorganic chemical vapour deposition conditions. It is found that the density and size of separated InN nano-scale islands can be adjusted and well controlled by changing the V/III ratio and growth temperature. InN nuclei density increases for several orders of magnitude with decreasing growth temperature between 525 and 375 degrees C. At lower growth temperatures, InN thin films take the form of small and closely packed islands with diameters less than 100 nm, whereas at elevated temperatures the InN islands grow larger and become well separated, approaching an equilibrium hexagonal shape due to enhanced surface diffusion of adatoms. The temperature dependence of InN island density gives two activation energies of InN nucleation behaviour, which is attributed to two different kinetic processes related to In adatom surface diffusion and desorption, respectively.

Suppression of indium droplet formation by adding CCl4 during metalorganic chemical vapor deposition growth of InN films

In this work, the influences of CCl4 on the metalorganic chemical vapor deposition (MOCVD) growth of InN were studied for the first time. It was found that the addition of CCl4 can effectively suppress the formation of metal indium (In) droplets during InN growth, which was ascribed to the etching effect of Cl to In. However, with increasing of CCl4 flow, the InN growth rate decreased but the lateral growth of InN islands was enhanced. This provides a possibility of promoting islands coalescence toward a smooth surface of the InN film by MOCVD. The influence of addition of CCl4 on the electrical properties was also investigated.

Enhancement of field emission of the ZnO film by the reduced work function and the increased conductivity via hydrogen plasma treatment

The ZnO films deposited by magnetron sputtering were treated by H/O plasma. It is found that the field emission (FE) characteristics of the ZnO film are considerably improved after H-plasma treatment and slightly deteriorated after O-plasma treatment. The improvement of FE characteristics is attributed to the reduced work function and the increased conductivity of the ZnO H films. Conductive atomic force microscopy was employed to investigate the effect of the plasma treatment on the nanoscale conductivity of ZnO, these findings correlate well with the FE data and facilitate a clearer description of electron emission from the ZnO H films.