A Study of Antiferromagnetic Ordering in β-FeF3·3H2O by the Use of the NMR Method

The present work cites the investigation results of local magnetic fields on ¹H and ¹⁹F nuclei and spin ordering in β-FeF₃·3H₂O. In the structure of this compound (space group P4₂/n, a=7.846 Å, c=7.754 Å, z=4^1,2) Fe atoms are bonded via bridged F atoms (1) in infinite chains along the /001/ axis. With such positioning, in which two paramagnetic atoms are separated by a diamagnetic atom (F, O, C1 and others) there is a possibility for indirect (superexchange) interaction. Linear chains … Fe - F - Fe - F - Fe - F … are separated from each other by F(2) atoms and water molecules H₂O (1) and H₂O (2), so that exchange between neighboring Fe atoms from various chains is ostensibly much encumbered.     

Structure of dislocations and stacking faults in the complex intermetallic ξ′-(Al–Pd–Mn) phase

We present the results of an electron microscopy study of defects in plastically deformed single crystals of the intermetallic ξ^′-(Al–Pd–Mn) phase. Pure edge dislocations with two different Burgers vector directions and four different Burgers vector magnitudes were found. All Burgers vector magnitudes observed can be described in terms of irrational fractions of the unit-cell parameters, and we have observed Burgers vector directions that can be indexed using irrational indices. The stacking faults observed have displacement vectors whose magnitudes and directions are incompatible with the unit cell of the ξ^′ phase. A comparison of the Burgers vectors observed in this study with those reported for the corresponding icosahedral quasicrystal shows that they are equivalent with respect to their directions and lengths. This leads to the conclusion that local order rather than long-range periodic (or quasiperiodic) order governs the structure of defects in these materials.     

Elasticity and plasticity of two-dimensional amorphous solid layers of β-lactoglobulin

We investigate the mechanical properties of a two-dimensional amorphous solid. It is formed spontaneously by the adsorption of a protein (the β-lactoglobulin) at the surface of water. We measure its mechanical response in both elastic and plastic regimes by applying a point-like force (using a glass fiber). We compare our results with previous measurements of shear moduli using a floating torsion device. Received: 10 February 2003 / Accepted: 23 April 2003 / Published online: 27 May 2003 RID="a" ID="a"Present address: Cavendish Laboratory, Madingley Road, Cambridge, CB3 0HE, UK; e-mail: sc374@phy.cam.ac.uk RID="b" ID="b"e-mail: graner@ujf-grenoble.fr     

The β-γ phase transition in titanite and the isosymmetric analogue in malayaite

X-ray diffraction technique and hard mode infrared spectroscopy were used to study the thermal behaviour of synthetic titanite, CaTiSiO₅, two natural titanite samples and iso-structural malayaite, CaSnSiO₅. Both pure minerals show a thermal anomaly near 500 K. Specific heat measurements show an intermediate phase in synthetic titanite. Impurities in titanite tend to suppress the discontinuity near 500 K. The β-γ transition near 820 K is not affected by Fe and Al defects in the natural material. Infrared studies in malayaite show a change of the temperature dependence of the phonon frequencies. X-ray experiments show weak structural rearrangements with heating but no evidence of a symmetry breaking phase transition near 500 K The character of the 500 K anomaly in malayaite is more similar to the β-γ transition (825 K) than the α-β Mtransition (496 K) in synthetic titanite.     

On the ferroelectric phase transition in polytypes of β-TlInS2 crystals

Permittivity measurements and x-ray diffraction study were performed for polytypes c and 2c of β-TlInS₂ crystals in the temperature range T = 160–250 K. Substantial differences are revealed in the temperature, sequence, and character of the structural phase transitions associated with the formation of incommensurate modulated structures and the occurrence of a ferroelectric state in these polytypes.     

Dramatic reduction in dark current of β-Ga2O3 ultraviolet photodectors via β-(Al0.25Ga0.75)2O3 surface passivation

Solar-blind ultraviolet photodetectors with metal-semiconductor-metal structure were fabricated based on β -(Al_0.25Ga_0.75)₂O₃/β -Ga₂O₃ film grown by metal-organic chemical vapor deposition. It was known that various surface states increase dark current and a large number of defects can hinder the transport of carriers, resulting in low switching ratio and low responsivity of the device. In this work, β -(Al_0.25Ga_0.75)₂O₃ films are used as surface passivation materials. Owning to its wide band gap, we obtain excellent light transmission and high lattice matching with β -Ga₂O₃. We explore the change and mechanism of the detection performance of the β -Ga₂O₃ detector after β -(Al_0.25Ga_0.75)₂O₃ surface passivation. It is found that under the illumination with 254 nm light at bias 5 V, the β -(Al_0.25Ga_0.75)₂O₃/β -Ga₂O₃ photodetectors show dark current of just 18 pA and high current on/off ratio of 2.16×10⁵. The dark current is sharply reduced about 50 times after passivation of the β -Ga₂O₃ surface, and current on/off ratio increases by approximately 2 times. It is obvious that β -Ga₂O₃ detectors with β -(Al_0.25Ga_0.75)₂O₃ surface passivation can offer superior detector performance.     

Thermal expansion anisotropy of β-TlInS2 crystals in the course of phase transitions

Basing on the thermal expansion studies performed for β-TlInS₂ crystals in the course of their phase transitions, we have found that the crystals aged for one year are composed from at least two polytypes, which undergo phase transitions at different temperatures. The detailed analysis of anisotropy of the thermal expansion demonstrates that all of the diagonal components of the thermal expansion tensor associated with the eigensystem have almost the same modules but differ by their signs. This leads to appearance of an elliptical conical surface of zero thermal expansion. The orientation of this surface does not depend on the temperature in the temperature interval under study. We have also found that the thermal expansion coefficients along the crystallographic a and b axes are close to zero.     

Study of visible emission and phase transition in nanocrystalline A1−xA′xTiO3 systems

Room temperature photoluminescence spectra on Ba_1−xPb_xTiO₃ and Sr_1−xPb_xTiO₃, with grain sizes of ∼ 60 and ∼ 30 nm, respectively, have been measured. The Pb content dependence of the visible emission can be used to provide evidence for the origin of photoluminescence occuring in these nanocrystalline ABO₃ oxides. The phase transitions for Ba_1−xPb_xTiO₃ and Sr_1−xPb_xTiO₃ are found to have an obvious effect on the visible emission band.     

Structure determination, valence, and superexchange in the dimerized low temperature phase of α ′ - NaV 2 O 5

We report results of a new analysis for the low-temperature structure of α ^′ -NaV₂O₅ from synchrotron X-ray diffraction experiments. We confirm the existence of two inequivalent ladder structures in each vanadium layer. Based on our structural data we perform a bond-valence calculation for the vanadium sites in the low temperature state. Due to an asymmetric charge ordering we obtain only two different vanadium valences despite the three inequivalent sites. This explains the ⁵¹V-NMR observation of only two resonant peaks in the charge ordered phase. By use of a Slater-Koster method to obtain hopping matrix elements and cluster calculations we obtain effective vanadium-vanadium hoppings which compare well to LDA results. Using these in a cluster calculation we obtain a superexchange of 0.047 eV between electrons on neighbouring rungs of the same ladder for the undistorted phase. For the distorted phase we find a significant alternation in the shifts of the oxygen atoms along the legs of one of the two ladder types which leads to a significant exchange dimerisation δ _J ≈ 0.25. Received 24 November 2000     

Monte Carlo simulation of antiphase boundaries and growth of antiphase domains in Al5Ti3 phase in Al-rich γ-TiAl intermetallics

Predominantly two kinds of antiphase boundaries (APBs) form in Al₅Ti₃, which is an Al-rich ordered derivative of the γ-TiAl (L1₀) phase. This phase can be viewed as a periodic arrangement of lean rhombs and squares on the Ti-rich (002) planes of the tetragonal L1₀. Energies of the two types of APBs were varied in a Monte Carlo simulation by suitably changing the pair interaction parameters. APBs of both types form boundaries of Al₅Ti₃ antiphase domains (APDs), which coarsen with time. An important observation in this regard is that mostly facetted APBs form at lower ageing temperatures, whereas curved APBs appear to form at relatively higher ageing temperatures. The findings of this work suggest that there exists a critical temperature, akin to the roughening transition temperature for crystals, that marks the transition from facetted to curved APBs.     

Fabrication of particular structures of hexagonal boron nitride and boron–carbon–nitrogen layers by anisotropic etching

Anisotropic etching of hexagonal boron nitride (h-BN) and boron–carbon–nitrogen (BCN) basal plane can be an exciting platform to develop well-defined structures with interesting properties. Here, we developed an etching process of atomically thin h-BN and BCN layers to fabricate nanoribbons (NRs) and other distinct structures by annealing in H₂ and Ar gas mixture. BCN and h-BN films are grown on Cu foil by chemical vapor deposition (CVD) using solid camphor and ammonia borane as carbon, nitrogen and boron source, respectively. Formation of micron size well-defined etched holes and NRs are obtained in both h-BN and BCN layers by the post growth annealing process. The etching process of h-BN and BCN basal plane to fabricate NRs and other structures with pronounced edges can open up new possibilities in 2D hybrid materials.     

Synthesis and plant growth regulatory activities of 2′,3′-PhABA and iso-2′,3′-PhABA esters

Molecular Diversity - Methyl and phenyl esters of 2′,3′-PhABA and iso-2′,3′-PhABA were prepared for the biological investigation and development of practical applications....     

Compression behavior and phase transition of β-Si_3N_4 under high pressure

The compressibility and pressure-induced phase transition of β-Si_3N_4 were investigated by using an angle dispersive x-ray diffraction technique in a diamond anvil cell at room temperature. Rietveld refinements of the x-ray powder diffraction data verified that the hexagonal structure(with space group P63/m, Z = 2 formulas per unit cell) β-Si_3N_4 remained stable under high pressure up to 37 GPa. Upon increasing pressure, β-Si3 N4 transformed to δ-Si_3N_4 at about 41 GPa. The initial β-Si_3N_4 was recovered as the pressure was released to ambient pressure, implying that the observed pressureinduced phase transformation was reversible. The pressure–volume data of β-Si_3N_4 was fitted by the third-order Birch–Murnaghan equation of state, which yielded a bulk modulus K_0= 273(2) GPa with its pressure derivative K_0= 4(fixed)and K0= 278(2) GPa with K 0= 5. Furthermore, the compressibility of the unit cell axes(a and c-axes) for the β-Si_3N_4 demonstrated an anisotropic property with increasing pressure.     

Simple identification of Al2O3 and MgO·Al2O3 spinel inclusions in steel using X-ray-excited optical luminescence

Nonmetallic inclusions in steel cause problems in steel products and steel production. In particular, an analysis of Al₂O₃ and MgO·Al₂O₃ spinel inclusions is important since they are one of the most harmful inclusions. A rapid and simple analysis of nonmetallic inclusions is required as the conventional analytical methods for nonmetallic inclusions are time-consuming. In this study, we propose a simple method to identify Al₂O₃ and MgO·Al₂O₃ spinel inclusions in steels. X-ray-excited optical luminescence (XEOL) analysis was selected as a promising method because it can rapidly identify sizes, shapes, and compositions of nonmetallic inclusions and can be performed in air. A model steel sample prepared by heating a mixture of Fe, Al, and MgO powders at 1550°C in argon atmosphere was used. XEOL images of the model steel sample showed that Al₂O₃ inclusions emitted blue and red luminescences. Using a filter attached to the camera, blocking light in the wavelength region above 650 nm, only the blue luminescence of the Al₂O₃ inclusions was observed. This was implemented as the luminescences of the Al₂O₃ inclusions appeared in both blue and red regions at wavelengths of 350, 485, 695, and 750 nm; consequently, the luminescences at 695 nm and 750 nm were blocked by the filter. In contrast, MgO·Al₂O₃ spinel inclusions emitted green luminescence (peak at 520 nm), unaffected by the filter. This indicates that we can simply identify Al₂O₃ and MgO·Al₂O₃ spinel inclusions by an XEOL image in the wavelength range of 420–650 nm.     

Theα-α′ phase transition of hydrogen in elastically anisotropic cubic metals

The formulation of the statistical mechanics of the - phase transition in hydrogenmetal-systems is extended in such a way as to include the elastic anisotropy of the host crystal. The corresponding reduction of symmetry leads to qualitative modifications of the results. Depending on hydrogen concentration and temperature, phases with homogeneous,C ₃- andC ₂-symmetric equilibrium hydrogen distributions are formed. The transitions between these phases are investigated, and the relation of their orders and the corresponding changes in symmetry is studied. Differences between isotropic and anisotropic systems are discussed.     

Translational order parameter in the smectic-B phase of 4-hexyl-4′-[2-(4-isothiocyanatophenyl)ethyl]-1,1′-biphenyl

4-Hexyl-4′-[2-(4-isothiocyanatophenyl)ethyl]-1-1′-biphenyl, a liquid crystalline material shows smectic-B (SmB) and nematic phases, respectively, between 60.3–98.5°C and 98.5–130.8°C. X-ray diffraction patterns were recorded at different temperatures in the SmB phase and were used to compute translational order parameters. For this purpose, we have employed a theoretical model recently reported by Kapernaum and Giesselmann. The results obtained are discussed in terms of the basic understanding of the SmB phase.