National Institute Of Materials Physics - Romania

Thin C-60 films were deposited by vacuum sublimation of soot on single-crystal and amorphous substrates. The absence of higher fullerenes was confirmed by IR, Raman and UV-VIS spectroscopy. X-ray diffraction revealed a high density of stacking faults (probabilities in the range 10(-2)), correlated with lattice distortions. Analysis of the W-VIS absorption bands yielded values of the h(u)-->t(1g) and h(u)-->t(1u) optical gaps.

The octahedral complex [PbX6](4,) (X=Cl, Br) in natrium/potassium chloride or bromide monocrystals as well as in the concentrated solutions of these alkali halides, impurified by lead, shows a characteristic absorption in the region 250-300 nm. Using the height of this absorption band, a quantitative method for determination of lead in the range 8'10(14) - 3.2'10(16) atoms/cm(3) of halide monocrystals or 0.5 20 mg/ml of solutions respectively, was elaborated. Standard graphs of the peak extinction of [PbX6](4) in natrium/potassium chloride and bromide as function of the lead concentration have been obtained.

ESR measurements in the 9 and 94 GHz microwave frequency bands were performed on thick free-standing polycrystalline diamond films grown by microwave plasma enhanced CVD from CH4/H-2 mixtures under variable deposition conditions. An exponential decrease in the concentration of the N-0 centres with increase in the H-2 flow rate was found. Neither H1 nor H2 centres could be detected.

The local electric properties at K and Zn sites in the normal, incommensurate and commensurate phases of K2ZnCl4, as derived from a numerical computation of the lattice contributions to the electric potential V(r), electric field intensity E(r) and electric field gradient tensor V-alpha beta(r) are reported. The numerical data obtained at each cationic position were correlated with the experimental K-39 NMR, Cu2+ and Mn2+ EPR and Fe-57 Mossbauer results in pure and doped K2ZnCl4. A proportionality between crystal field and zero-field splitting was taken into account for Mn2+, whereas for K+, Cu2+ and Fe3+ ions the electric field gradient is directly related to the crystal field parameter. By this comparison, on computations done in the ionic fractional charge and relaxed lattice approximations, the insertion of probe-species of iron, copper and manganese ions on off-center Zn sites is proposed. The K-39 electric field gradient tensor calculations in the incommensurate phase fit well with the NMR data reported recently.

Two Fe+ centres have been identified by ESR after X-ray irradiation at 80 K of chlorinated SrCl2 : Fe2+ crystals. Both centres, with tetragonal symmetry, consist of an Fe+ ion with a neighbouring charged defect along the [001] symmetry axis. The substitutional Fe+ ion of the Fe+(I) centre is strongly off-centre displaced in the Fe+(II) centres, in the middle of a square of four nearest neighbour chlorine ligands.

In case of a metal finely dispersed in a C-60 matrix, the metal-to-C-60 charge transfer lowers the interface energy. The total cohesive energy per metal atom E-tot, was estimated for Au clusters in fullerite. The results show that, for a charge Q(f) greater than or equal to 1 electron (e) transferred from the metal clusters to each C-60 cage, a minimum appears in E-tot, defining a most stable cluster size. Thereby, the equilibrium dispersion state of the metal in the fullerite matrix depends on Q(f).

Data on the dielectric properties of the liquid crystal 4-octyl-4'-cyanobiphenyl (8CB) have been determined onto unaligned samples, for a large scale of frequency, as function of temperature. The components of the complex dielectric permittivity as well as the corresponding dielectric parameters were evaluated using Havriliak-Negami (HN) functions. The dielectric characteristics were discussed and were compared with the literature, a good agreement being observed. The method allows to obtain for the first time the dielectric strength for a large range of the temperature and gives the two functions describing the relaxation processes in the isotropic range.

Orientational transitions induced by temperature variation, in cells with nematic liquid crystal having limiting substrates with controlled topography, are presented. The variable topography was obtained by SiOx deposition in vacuum at an incidence angle around 85 degrees, or by depositions of polyvinyl alcohol (PVA) with different thicknesses, on glasses with the same SiOx deposition. The experimental results are explained by a phenomenological model based on the Landau-de Gennes free energy expansion, taking into account the anisotropy of the substrate.

The effect of niobium and lithium doping on the structure and piezoelectric properties of some samples with the following compositions PbZr0.051 Nb3Li)(x)Ti0.49-xO3, with 0.015 less than or equal to x less than or equal to 0.050, was investigated. The materials were prepared by the usual ceramic technique using high purity raw materials. Disc shaped samples of each composition were sintered at temperatures between 1200 and 1300 degrees C, for 4 h. The samples structure was determined by X-ray diffractometry and the piezoelectric properties were determined by means of resonance-antiresonance method, using a HP 4194A impedance gain phase analyser. A morphotropic phase boundary (MPB) with the optimum piezoelectric properties was found around the compositions with x=0020. The optimum values for relative dielectric constant epsilon(r), planar electromechanical coupling factor k(p), and mechanical quality, factor Q(m) of about 1700, 0.59 and 75, respectively, were found for these compositions. The lattice constants a and c of rhombohedral and tetragonal phases were determined by means of an X-ray CuK alpha diffractometer. The results are discussed in terms of the domain easy switching phenomena and high poling degree, brought about by the A-vacancies produced by the NbLi pairs doping. (C) 1999 Elsevier Science Limited. All rights reserved.