Materials Literature
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Six half-metallic ferromagnets with NaCl structure, X4CY3 (X=Mg, Ca, and Sr and Y=O and S) are predicted by the first principle calculations based on the density functional theory. The supercell magnetic moments of these ferromagnets are all integer 2.0μB, which are one of important characters of half-metallic ferroma…
We have theoretically performed that Fe endohedral-doped boron fullerene (B 80 ) is a potential single molecular device with tunable electronic and magnetic properties. Both the energy gap and magnetic moment of the Fe endohedral-doped B 80 can be greatly tuned, simultaneously by changing the position of the Fe atom i…
A series of La, Ta double substituted Sr(1-x)La(x)Ti(1-x)Ta(x)O(3), with x = 0.01, 0.05 and 0.10, and La, Nb double substituted Sr(0.90)La(0.10)Ti(0.90)Nb(0.10)O(3) for comparison were investigated in this project. Rietveld refinements were performed to check for purity and symmetry reduction. Electronic structure cal…
Abstract Perovskite‐type materials have been synthesised and investigated with regards to their physical properties including specific surface area (BET), phase purity, sinter behaviour, coefficient of thermal expansion (CTE) and electrical conductivity. We investigated the effect of Sr variation on La 1–x Sr x FeO 3–…
Total scattering from nanocrystalline materials recorded on the Australian Synchrotron powder diffraction beamline has been analysed to produce atomic pair distribution functions (PDFs) for structural analysis. The capability of this beamline, which uses the massively parallel Mythen II detector, has been quantified w…
The field dependence of the proton (I) spin–lattice relaxation rate is calculated for a dipole–dipole coupled spin pair, (I = 1/2) − (S = 1), where the quadrupole nucleus (S) is 2H or 14N with asymmetry parameter η = 0. The observed relaxation profile shows a marked enhancement for equal proton Larmor and quadrupole s…
An in-vacuum double-phase-plate diffractometer for performing polarization scans combined with resonant X-ray diffraction experiments is presented. The use of two phase plates enables the correction of some of the aberration effects owing to the divergence of the beam and its energy spread. A higher rate of rotated po…
Abstract Yarrowia lipolytica (YLL), Candida rugosa (CRL), and porcine pancreatic lipase (PPL) were employed successfully as catalysts in the enzymatic ring‐opening polymerization (ROP) of ε‐caprolactone in the presence of 1‐ethyl‐3‐methylimidazolium tetrafluoroborate ([EMIM][BF 4 ]), 1‐butyl‐3‐methylimidazolium tetraf…
Centrifugation is widely used in the synthesis and handling of solution-phase nanoparticles to improve their purity and to change the composition of the solvent. Herein, we couple the optical properties of citrate-stabilized gold nanoparticles and silica encapsulation to investigate how centrifugation impacts the form…
Abstract Polystyrene (PS) nanocomposite particles with high titania content are prepared by Pickering emulsion polymerization. A self‐made titania hydrosol modified by an anionic monomer sodium styrene sulfonate (NaSS) is used as a stabilizer and photocatalyst. The stability of the emulsion system is greatly improved…
We have investigated high energy excitations in approximately 1-2 nm Si nanoparticles (NPs) by ab initio time-dependent density functional calculations, focusing on the influence on excitation spectra, of surface reconstruction, surface passivation by alkyl groups, and the interaction between NPs. We have found that s…
The electronic and magnetic properties of zigzag zinc oxide (ZnO) nanoribbons with or without hydrogen passivation are investigated using ab initio calculations. The ribbon is found to be half-metallic ferromagnet when edge zinc atoms are passivated only. Moreover, the half-metallicity only emerges in the ribbons with…
Ferroelectric K0.5Na0.5NbO3 (KNN) thin film was epitaxially grown on La0.67Sr0.33MnO3 (LSMO) buffered LaAlO3 substrate by pulse laser deposition. The crystallographic structure of KNN/LSMO was confirmed by x-ray diffraction. Interestingly, a dielectric relaxor feature was found in the temperature range 200–350 °C. The…
We found that a few percent of Fe dopants at the Mn sites alters the antiferromagnetic spin structure of Mn3GaN and induces a first-order antiferromagnetic-ferromagnetic phase transition accompanied by a large volume change. The drastic conversion of the spin alignment originates from phase competition due to a geomet…
We highlight the significance of multiwall carbon nanotube (MWCNT) shape on the electrical percolation. For rodlike MWCNTs, percolation threshold depends on aspect ratio (L/d). For random coil-like MWCNTs, the percolation threshold does not depend on L/d but depends on the shape factor of MWCNTs represented by the rat…
Abstract This paper discusses and compares molecular interactions of rhodanine (Rd), the heterocyclic compound containing N, S, and O atoms, with two forms of silver species, i.e. Ag(I) ions and silver nanocolloidal particles. Vibrational spectroscopic and powder crystallography studies on coordination of Ag(I) ions i…
Abstract— A novel optically addressable, flexible bistable cholesteric liquid‐crystal display (ChLCD) is presented. These displays utilizeazo‐binaphthalene photosensitive chiral dopants that undergo photo‐isomerization upon exposure to light. The isomerization results in a change in the pitch of the cholesteric liquid…
In this work, we investigate the effect of the material engineering on programming margin in the double-layered phase-change memory, which is the most important parameter for the stability of multilevel storage. Compared with the TiN/SbTeN cell, the TiSiN/GeSbTe double-layered cell exhibits the resistance ratio of the…
The sintering behavior of symmetric laminates has been experimentally measured and modeled. Two cases are distinguished: (i) sintering of a viscous layer between viscous substrates and (ii) sintering of a viscous layer between elastic substrates. A simple model based on a persisting isotropic microstructure allowed co…
The electronic and magnetic properties of recently synthesized tetragonal CuO with $c/a>1$ is calculated by means of hybrid density-functional theory. We predict that this tetragonal phase orders antiferromagnetically and has an exceptionally high Ne\'el temperature ${T}_{N}\ensuremath{\approx}800\text{ }\text{K}$,…