Growth of ZnO Nanotetrapods with Hexagonal Crown

ZnO nanotetrapods with hexagonal crown were synthesized on a silicon wafer by vapor transport process at a low temperature of 630 °C and normal pressure without the presence of catalysts. The results demonstrated that the as-synthesized products with slender legs and regular hexagonal crown are single crystal with wurtzite structure and preferentially grow up along 001 direction. Photoluminescence spectra revealed that the green emission originated from oxygen vacancies overwhelmed that of the near-band-edge ultraviolet peak, which suggests the peculiar-shaped nanotetrapods may have potential applications in multichannel nano-optoelectronic devices.

Growth and optical properties of peculiar ZnO tetrapods

Regular ZnO tetrapods with different morphologies have been obtained on Si(100) substrate via the chemical vapour deposition approach. Varying the growth temperature and gas rate, we have obtained different structured ZnO materials: tetrapods with a large hexagonal crown, a flat top and a small hexagonal crown. The results suggest that these tetrapods are all single crystals with a wurtzite structure that grow along the (0001) direction. However, photoluminescence spectra shows that their optical properties are quite different: for those with large hexagonal crown, the green emission overwhelms that of the near band-edge (NBE) ultraviolet (UV) peak, while others have only a strong NBE UV peak at ~386 nm.

Molecular Dynamics And Density Functional Studies Of A Body-Centered-Tetragonal Polymorph Of Zno

We report a previously unknown body-centered-tetragonal structure for ZnO. This structure results from a phase transformation from wurtzite in [0001]-oriented nanorods during uniaxial tensile loading and is the most stable phase for ZnO when stress is above 7 GPa. The stress-induced phase transformation has important implications for the electronic, piezoelectric, mechanical, and thermal responses of ZnO. The discovery of this polymorph brings about a more complete understanding of the extent and nature of polymorphism in ZnO. A crystalline structure-load triaxiality map is developed to summarize the relationship between structure and loading.

Novel Mechanical Behavior Of Zno Nanorods

A novel stress-strain relation with two stages of linear elastic deformation is observed in [0 0 0 1]-oriented ZnO nanorods under uniaxial tensile loading. This phenomenon results from a phase transformation from wurtzite (WZ, P6(3)mc space group) to a body-centered tetragonal structure with four-atom rings (denoted as BCT-4) belonging to the P4(2)/mnm space group. The analysis here focuses on the effects of nanorod size and temperature on the phase transformation and the associated mechanical behavior. It is found that as size is increased from 19.5 to 45.5 angstrom, the critical stress for nucleation of the transformation decreases by 25% from 21.90 to 16.50 GPa and the elastic moduli of the WZ- and BCT-4-structured nanorods decrease by 24% (from 299.49 to 227.51 GPa) and 38% (from 269.29 to 166.86 GPa), respectively. A significant temperature effect is also observed, with the critical stress for transformation initiation decreasing 87.8% from 17.89 to 2.19 GPa as temperature increases from 300 to 1500 K. (c) 2007 Elsevier B.V. All rights reserved.

Growth Mechanism And Joint Structure Of Zno Tetrapods

Regular zinc oxide (ZnO) tetrapods with a flat plane have been obtained on Si(1 0 0) substrate via the chemical vapour deposition approach. The x-ray diffraction result suggests that these tetrapods are all single crystals with a wurtzite structure that grow along the (0 0 0 1) direction and corresponding electron backscatter diffraction analysis reveals the crystal orientation of growth and exposed surface. Furthermore, we find some ZnO tetrapods with some legs off and the angles between every two legs are measured with the aid of scanning electron microscopy and image analysis, which benefit to reveal the structure of ZnO tetrapods joint. The structure model and growth mechanism of ZnO tetrapods are proposed. Besides, the stable model of the interface was obtained through the density-functional theory calculation and the energy needed to break the twin plane junction was calculated as 5.651 J m(-2).

Effect Of Load Triaxiality On Polymorphic Transitions In Zinc Oxide

Molecular dynamics (MD) simulations and first-principles calculations are carried out to analyze the stability of both newly discovered and previously known phases of ZnO under loading of various triaxialities. The analysis focuses on a graphite-like phase (FIX) and a body-centered-tetragonal phase (BCT-4) that were observed recently in [0 1 (1) over bar 0]- and [0 0 0 1]-oriented nanowires respectively under uniaxial tensile loading as well as the natural state of wurtzite (WZ) and the rocksalt (RS) phase which exists under hydrostatic pressure loading. Equilibrium critical stresses for the transformations are obtained. The WZ -> HX transformation is found to be energetically favorable above a critical tensile stress of 10 GPa in [0 1 (1) over tilde 0] nanowires. The BCT-4 phase can be stabilized at tensile stresses above 7 GPa in [0 0 0 1] nanowires. The RS phase is stable at hydrostatic pressures above 8.2 GPa. The identification and characterization of these phase transformations reveal a more extensive polymorphism of ZnO than previously known. A crystalline structure-load triaxiality map is developed to summarize the new understanding. (c) 2007 Elsevier Ltd. All rights reserved.

Synthesis and magnetic properties of Ni-doped zinc oxide powders

Polycrystalline Zn1-xNixO diluted magnetic semiconductors have been successfully synthesized by an auto-combustion method. X-ray diffraction measurements indicated that the 5 at% Ni-cloped ZnO had the pure wurtzite structure. Refinements of cell parameters from powder diffraction data revealed that the cell parameters of Zn0.95Ni0.05O were a little bit larger than ZnO. Transmission electron microscopy observation showed that the as-synthesized powders were of the size similar to 60 nm. Magnetic investigations showed that the nanocystalline Zn0.95Ni0.05O possessed room temperature ferromagnetisin with the saturation magnetic moment of 0.1 emu/g (0.29 mu(B)/Ni2+). (c) 2005 Elsevier B.V. All rights reserved.

Influences of Al doping concentration on structural, electrical and optical properties of Zn0.95Ni0.05O powders

Nanocrystalline Zn0.95 - xNi0.05AlxO (x = 0.01, 0.02, 0.05 and 0.10) diluted magnetic semiconductors have been synthesized by an auto-combustion method. X-ray diffraction measurements indicate that all Al-doped Zn0.95Ni0.05O samples have the pure wurtzite structure. Transmission electron microscope analyses show that the as-synthesized powders are of the size 40 - 45 nm. High-resolution transmission electron microscope, energy dispersive spectrometer and X-ray photoemission spectroscope analyses indicate that Ni2+ and Al3+ uniformly substitute Zn2+ in the wurtzite structure without forming any secondary phases. The Al doping concentration dependences of cell parameters (a and c), resistance and the ratio of green emission to UV emission have the similar trends. (c) 2007 Elsevier B.V. All rights reserved.

Absence of room-temperature ferromagnetism in Al-codoped Zn0.95Co0.05O nanoparticles

Nanocrystalline Zn0.95-xCo0.05AlxO (x=0, 0.01, 0.05) diluted magnetic semiconductors have been synthesized by an auto-combustion method. X-ray diffraction measurements indicated that Al-doped Zn0.95Co0.05O samples had the pure wurtzite structure. X-ray absorption spectroscopy, high-resolution transmission electron microscope, energy dispersive spectrometer and Co 2p core-level photoemission spectroscope analyses indicated that Co2+ substituted for Zn2+ without forming any secondary phases or impurities. Resistance measurements showed that the resistance values of Co and Al codoped samples were still so large in the giga magnitude. Magnetic investigations showed that nanocrystalline Al-doped Zn0.95Co0.05O samples had no indication of room temperature ferromagnetism. (C) 2007 Elsevier B.V. All rights reserved.

Structure and UV emission of nanocrystal ZnO films by thermal oxidation of ZnS films

ZnO films prepared by the thermal oxidation of the ZnS films through thermal evaporation are reported. The as-deposited ZnS films have transformed to ZnO films completely at 400 degrees C. The 400-700 degrees C annealed films with a preferential c-axis (002) orientation have a hexagonal wurtzite structure. The band gap of ZnO films shifts towards longer wavelength with the increase of the annealing temperature. The relationship between the band gap energy of ZnO films and the grain size is discussed. The shift of the band gap energy can be ascribed to the quantum confinement effect in nanocrystal ZnO films. The photoluminescence spectra of ZnO films show a dominant ultraviolet emission and no deep level or trap state defect emission in the green region. It confirms the absence of interstitial zinc or oxygen vacancies in ZnO films. These results indicate that ZnO film prepared by this simple thermal oxidation method is a promising candidate for optoelectronic devices and UV laser. (c) 2005 Elsevier BN. All rights reserved.

First-principles study on the structural and electronic properties of ultrathin ZnO nanofilms

First-principles calculations; ZnO nanofilms; Electronic properties; Quantum effects； NANOBELTS; NANORINGS; WURTZITE; ENERGY Abstract: Using first-principles density-functional calculations, we have studied the structural and electronic properties Of Ultrathin ZnO {0001} nanofilms. The structural parameters, the charge densities, band structures and density of states have been investigated. The results show that there are remarkable charge transfers from Zn to O atoms in the ZOO nanofilms. All the ZOO nanofilms exhibit direct wide band gaps compared with bulk counterpart, and the gap decreases with increased thickness of the nanofilms. The decreased band gap is associated with the weaker ionic bonding within layers and the less localization of electrons in thicker films. A staircase-like density of states occurs at the bottom of conduction band, indicating the two-dimensional quantum effects in ZnO nanofilms.

Characterization of ZnMgO hexagonal-nanotowers/films on m-plane sapphire synthesized by metal organic chemical vapour deposition

ZnMgO hexagonal-nanotowers/films grown on m-plane sapphire substrates were successfully synthesized using a vertical low-pressure metal organic chemical vapour deposition system. The structural and optical properties of the as-obtained products were characterized using various techniques. They were grown along the non-polar [1 0 (1) over bar 0] direction and possessed wurtzite structure. The ZnMgO hexagonal-nanotowers were about 200 nm in diameter at the bottom and 120 nm in length. Photoluminescence and Raman spectra show that the products have good crystal quality with few oxygen vacancies. With Mg incorporation, multiple-phonon scattering becomes weak and broad, and the intensities of all observed vibrational modes decrease. The ultraviolet near band edge emission shows a clear blueshift (as much as 100 meV) and broadening compared with that of pure ZnO products.

Valence band offset of ZnO/4H-SiC heterojunction measured by x-ray photoelectron spectroscopy

The valence band offset (VBO) of the wurtzite ZnO/4H-SiC heterojunction is directly determined to be 1.61 +/- 0.23 eV by x-ray photoelectron spectroscopy. The conduction band offset is deduced to be 1.50 +/- 0.23 eV from the known VBO value, which indicates a type-II band alignment for this heterojunction. The experimental VBO value is confirmed and in good agreement with the calculated value based on the transitive property of heterojunctions between ZnO, SiC, and GaN. (C) 2008 American Institute of Physics.

Highly anisotropic and electric field tunable Zeeman splittings in Mn-doped CdS nanowires

The electronic structure, Zeeman splitting, and g factor of Mn-doped CdS nanowires are studied using the k center dot p method and the mean field model. It is found that the Zeeman splittings of the hole ground states can be highly anisotropic, and so can their g factors. The hole ground states vary a lot with the radius. For thin wire, g(z) (g factor when B is along the z direction or the wire direction) is a little smaller than g(x). For thick wire, g(z) is mcuh larger than g(x) at small magnetic field, and the anisotropic factor g(z)/g(x) decreases as B increases. A small transverse electric field can change the Zeeman splitting dramatically, so tune the g(x) from nearly 0 to 70, in thick wire. The anisotropic factor decreases rapidly as the electric field increases. On the other hand, the Zeeman splittings of the electron ground states are always isotropic.

Elasticity, band-gap bowing, and polarization of AlxGa1-xN alloys

Elastic constants, the bulk modulus, Young's modulus, band-gap bowing coefficients, spontaneous and piezoelectric polarizations, and piezoelectric coefficients of hexagonal AlxGa1-xN ternary alloys are calculated using first-principles methods. The fully relaxed structures and the structures subjected to homogeneous biaxial and uniaxial tension are investigated. We show that the biaxial tension in the plane perpendicular to the c axis and the uniaxial tension along the c axis all reduce the bulk modulus, whereas they reduce and enhance Young's modulus, respectively. We find that the biaxial and uniaxial tension can enhance the bowing coefficients. We also find that the biaxial tension can enhance the total polarization, while the uniaxial tension will suppress the total polarization. (C) 2008 American Institute of Physics.