Ab initio prediction of half-metallic ferromagnetism in Zn(TM)O2 (TM=Cr,Mn, Fe,Co, Ni) compounds

From the results of first principles tight-binding linear muffin-tin orbital (TB-LMTO) calculations, half-metallic ferromagnetism is proposed in Zn(TM)O₂ with a chalcopyrite structure. The calculated electronic and magnetic property shows that consistent with the integer value for the total magnetic moment, half metallicity is obtained for ZnCrO₂, ZnMnO₂, ZnFeO₂, ZnCoO₂ and ZnNiO₂. A careful analysis of the spin density reveals the ferromagnetic coupling between the p–d states and the cation dangling-bond p states, which is believed to be responsible for the stabilization of the ferromagnetic phase. The calculated heat of formation, bulk modulus and cohesive energy are reported.     

A Mössbauer study of the chemical stability of iron oxide nanoparticles in PMMA and PVB beads

We have prepared magnetic beads consisting of iron oxide nanoparticles in a polymethyl methacrylate (PMMA) and a polyvinyl butyral (PVB) matrix. High-field Mössbauer studies show that the particles have an almost perfect collinear spin structure and magnetization measurements show that they are superparamagnetic at room temperature at a time scale of seconds. We have followed the oxidation of the particles, which initially have a stoichiometry close to magnetite. The oxidation is fast during the first 2–3 weeks and then continues slowly such that even after 30 weeks the particles have not completely transformed to maghemite. The PVB beads are hydrophilic and biocompatible and are therefore well suited for applications in medicine and biology.     

An efficient co-doping of Eu and Er in CaAl2O4 aluminate phosphor

CaAl₂O₄:Eu²⁺ co-doped with varying concentrations of Er³⁺ was prepared by solid-state reaction method. Prepared materials with 1 mol% Eu²⁺ and 2-10 mol% of Er³⁺ were investigated for their photoluminescence properties. Phase, morphology and crystalline structure were investigated by powder X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Broad band UV-excited luminescence was observed for CaAl₂O₄:Eu²⁺, Er³⁺ in the blue region (λ_max=440 nm) due to transitions from 4f⁶5d¹ to the 4f⁷ configuration of the Eu²⁺ ion. The Er³⁺ ion co-doping generates deep traps, which results in longer decay time for phosphorescence.     

Long silicon nitride nanowires synthesized in a simple route

Long silicon nitride (Si₃N₄) nanowires with high purity were synthesized by heating mixtures of SiO₂ powders and short carbon fibers at 1430°C for 2 h in a flowing N₂ atmosphere. The nanowires had the length of 1–2 millimeters and the diameters of 70–300 nm, and were mainly composed of ⍺-Si₃N₄, growing along the [001] direction. The vapor–solid (VS) mechanism was employed to interpret the nanowires growth.     

A statistical evaluation of the field emission for copper oxide nanostructures

A statistical data analysis methodology was developed to evaluate the field emission properties of many samples of copper oxide nanostructured field emitters. This analysis was largely done in terms of Seppen-Katamuki (SK) charts, field strength and emission current. Some physical and mathematical models were derived to describe the effect of small electric field perturbations in the Fowler-Nordheim (F-N) equation, and then to explain the trend of the data represented in the SK charts. The field enhancement factor and the emission area parameters showed to be very sensitive to variations in the electric field for most of the samples. We have found that the anode-cathode distance is critical in the field emission characterization of samples having a non-rigid nanostructure.     

Measurements of the light output functions of plastic scintillator using 9Be(d,n)10B reaction neutron source

The light output functions for protons of ST-401 and BC-408 plastic scintillators were measured using white neutron source produced by the 9Be(d,n)10B reaction at the HI-13 Tandem Accelerator at China Institute of Atomic Energy(CIAE).The LOFs of plastic scintillators for protons in the energy range of 0.516.5 MeV were obtained by the time-of-flight(TOF)technique and an iterative procedure.Two parameters(kB and C)were deduced by fitting the experimental data.     

An Efficient Pulsed CH3OH Terahertz Laser Pumped by a TEA CO2 Laser

An efficient pulsed CH3OH terahertz （THz） laser pumped by a TEA CO2 laser is investigated experimentally. To improve photon conversion efficiency and THz laser energy, two cavity configurations of the TEA CO2 laser, which is external and semi-external, are evaluated. The pump intensities are about 4.7 MW/cm2 and 1.2 MW/cm2, respectively. Higher pump intensity and more stable single lines are obtained in the external cavity. For the 3.8 J pump energy of the 9P（16） transition in the external cavity, the maximum terahertz output energy with 570.5 μm wavelength at 160 Pa is 431 μJ. With a 6 J energy pulse in terms of a semi-external cavity, a 353 μJ terahertz emission （570.5 μm） is produced. The corresponding photon conversion efficiencies are 1.36% and 0.705%, increasing by a factor of about 2.     

ChemInform Abstract: Organization of Water Around a Beryllium Cation.

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