National Institute Of Materials Physics - Romania

The crystal structure, electronic and magnetic properties of predicted new full-Heusler compounds Zr(2)MnZ (Z=Al, Ga, In) were studied within the density functional theory (DFT) framework. These materials exhibit unique properties that connect the spin gapless semiconducting character with the completely compensated ferrimagnetism. Magnetically ordered Zr(2)MnZ (Z=Al, Ga, In) compounds crystallize in inverse Heusler structure are stable against decomposition and have zero magnetic moment per formula unit, in agreement with Slater-Pauling rule. The Zr2MnAl compound presents semiconducting properties with an energy band gap of 0.41 eV in the majority spin channel and a zero band gap in the minority spin channel. By substituting completely the Al in Zr2MnAl via Ga and In elements, semiconducting pseudo band gaps are formed in the majority spin channels due to different neighborhoods around the manganese atoms, which decreases the energy of Mn triple degenerated anti-bonding states. (C) 2016 Elsevier B.V. All rights reserved.

Within this study a matrix assisted pulsed laser evaporation technique was employed for deposition of CdS quantum dots onto TiO2 nanotubes. The number of laser pulses and laser fluence were varied to control the amount of CdS deposit. TiO2 nanotubes were obtained via anodization technique of sputtered Ti film on FTO glass. For CdS synthesis, dimethyl sulfoxide (DMSO) was used as a matrix of the target which absorbs radiation of KrF* laser (lambda=248 nm), then evaporates enabling the deposition of CdS quantum dots dispersed into DMSO. This study showed that the size of the CdS nanoparticles synthetized in DMSO can be controlled with microwave treatment that causes the release of S2- ions from DMSO for creation of CdS nuclei and/or their further growth. The optimization of CdS synthesis is achieved by varying the duration of the microwave treatment and the microwave power. The obtained TiO2 photo anodes with different amounts of CdS were assembled with PbS cathodes and the polysulfide electrolyte was injected between. The influence of amount of CdS deposit and the microwave treatment of CdS on photovoltaic performance of the fabricated solar cells were analyzed under AM1.5. The results showed that microwave treatment produced a Cd(S)-DMSO complex onto CdS nanoparticles which led to a higher current density of the solar cells obtained using microwave treated CdS target. Also, the increase of CdS content by increasing the number of laser pulses provided the enhance of I-V characteristics of the solar cells. (C) 2016 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

BiFeO3 is one of the most promising multiferroic materials but undergoes two major drawbacks: low dielectric susceptibility and high dielectric loss. Here we report high in-plane dielectric permittivity (epsilon' similar to 2500) and low dielectric loss (tan delta < 0.01) obtained on Bi0.95Y0.05FeO3 films epitaxially grown on SrTiO3 (001) by pulsed laser deposition. High resolution transmission electron microscopy and geometric phase analysis evidenced nanostripe domains with alternating compressive/tensile strain and slight lattice rotations. Nanoscale mixed phase/domain ensembles are commonly found in different complex materials with giant dielectric/electromechanical (ferroelectric/relaxors) or magnetoresistance (manganites) response. Our work brings insight into the joined role of chemical pressure and epitaxial strain on the appearance of nanoscale stripe structure which creates conditions for easy reorientation and high dielectric response, and could be of more general relevance for the field of materials science where engineered materials with huge response to external stimuli are a highly priced target.

Large scale ZnO nanowire arrays were grown directly on zinc foils using the thermal oxidation in air method. The X-ray diffraction and reflectance investigations confirm that the as-grown nanowires properties are typical for ZnO having a hexagonal wurtzite crystalline structure and band-gap values between 3.2 and 3.3 eV. The scanning electron microscopy images prove that the density and the dimensions (diameter and length) of the ZnO nanowires can be tuned by controlling the oxidation temperature. Wettability studies reveal in the case of Zn foils a hydrophilic behavior with high water droplet adhesion which is transformed into a superhydrophobic one with low water droplet adhesion after the foils' surfaces are covered with ZnO nanowires. Obtaining functional surfaces with such interesting wetting properties using a simple, inexpensive and highly reproducible thermal oxidation in air technique is very attractive for anticorrosion coatings and self-cleaning applications. (C) 2016 Elsevier B.V. All rights reserved.

Dense (95-98.6%) bulk boron carbide prepared by Spark Plasma Sintering (SPS) in Ar or N-2 atmospheres were subject to three-point flexural tests at room and at 1600 degrees C. Eight different consolidation conditions were used via SPS of commercially available B4C powder. Resulting specimens had similar grain size not exceeding 4 mu m and room-temperature bending strength (sigma(25) (degrees C)) of 300-600 MPa, suggesting that difference in sigma(25) (degrees C) m is due to development of secondary phases in monolithic boron carbide ceramics during SPS processing. To explain such difference the composition of boron carbide and secondary phases observed by XRD and Raman spectroscopy. The variation in intensity of the Raman peak at 490 cm(-1) of boron carbide suggests modification of the boron carbide composition and a higher intensity correlates with a higher room temperature bending strength (sigma(25) (degrees C)) and Vickers hardness (HV). Secondary phases can modify the level of mechanical characteristics within some general trends that are not dependent on additives (with some exceptions) or technologies. Namely, HV increases, sigma(25) (degrees C) decreases, and the ratio sigma(1600 degrees C)/sigma(25 degrees C) (sigma(1600 degrees C) - bending strength at 1600 degrees C) is lower when fracture toughness (K-IC) is higher. The ratio sigma(1600 degrees C)/sigma(25 degrees C) shows two regions of low and high K-IC delimited by K-IC=4.1 MPa m(0.5): in the low K-IC region, boron carbide specimens are produced in nitrogen. (c) 2016 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

High density monolithic boron carbide specimens with grain size of 3-5 mu m were consolidated by spark plasma sintering using identical heating conditions and Ar or N-2 atmospheres. The effect of impurities from two different raw powders on the flexural strength was revealed. The increase in flexural strength was observed up to 1600 degrees C. Specimens consolidated in nitrogen had a higher strength than that consolidated in argon. Samples had the room temperature strength ranging from 350 to 550 MPa. The high temperature strength of our samples exceeding 400 MPa is higher than that previously reported for polycrystalline monolithic B4C. The supporting cracking/strengthening mechanism was discussed and proposed. (C) 2016 The Ceramic Society of Japan. All rights reserved.

Graphene nanopowder (G) with average thickness particle size of about 6-8 nm was added to MgB2 commercial powder. Starting composition was (MgB2)((1-x))(G)(x),x = 0.0125, 0.025, 0.05. Processing was performed by Spark Plasma Sintering (SPS) technique. All added samples have high density (above 95%). The critical temperature (T-c) and the lattice parameter a (c-axis lattice parameter is constant) show a small variation suggesting that carbon substitution for boron is low. TEM observations show the presence of un-reacted graphene plates supporting the T-c and structural results. It also indicates that G-addition does not modify the MgB2 microstructure. Despite this, there is an optimum doped sample (MgB2)(0.9875)(G)(0.0125) for which the critical current density at temperatures below 25 K is slightly higher at high magnetic fields than for the pristine sample. The addition of G is found as one of the least effective C-source additions enhancing J(c). We discuss results as being strongly related to variation of the residual stress. (C) 2016 Elsevier Ltd. All rights reserved.

The electrochemical deposition of ZnxTey thin films was studied in an ionic liquid consisted in choline chloride - ethylene glycol eutectic mixture (Ethaline). ZnCl2 and TeO2 precursors were dissolved in 5-24 millimolar concentrations and the temperature was maintained constant at 60 degrees C. Cyclic voltammograms on Pt from electrolytes with both Te4+ and Zn2+ ions displayed three cathodic processes as limiting currents or peaks: Te underpotential deposition, codeposition of ZnTe compound, and deposition of Zn-rich binary telluride. The corresponding anodic waves or peaks were also identified. The shape of Nyquist electrochemical impedance plots recorded on various applied polarization showed that the electrode first covers with a Te film, and then the more cathodic polarization produces a co-reduction of Te4+ with Zn2+ as ZnTe compound. The formation of Zn metal-rich ZnxTey film at excessive negative polarization is indicated by the lowest value of maximum phase angle in Bode plots. The Zn/Te ratio (apparent stoichiometry) in the films deposited on Cu substrate is controlled by carrying out constant potential electrolyses with different ionic ratios in Ethaline bath. Film morphology, elemental analysis, and crystalline structure were evidenced by SEM microscopy, EDX analysis and X-ray diffraction, respectively.

We investigate theoretically the spectral and dynamical effects of the short-range exchange interaction between a single manganese (Mn) atom hosted by cylindrical CdTe quantum dots and its light-hole excitons or biexcitons. Our approach is based on the Kohn-Luttinger k . p theory and configuration interaction method, the dynamics of the system in the presence of intraband relaxation being derived from the von Neumann-Lindblad equation. The complex structure of the light-hole exciton absorption spectrum reveals the exchange-induced exciton mixing and depends strongly on the Mn position. In particular, if the Mn atom is closer to the edges of the cylinder, the bright and dark light-hole excitons are mixed by the hole-Mn exchange alone. Consequently, their populations exhibit exchange-induced Rabi oscillations which can be viewed as optical signatures of light-hole spin reversal. Similar results are obtained for mixed biexcitons, in this case the exchange-induced Rabi oscillations being damped by the intraband hole relaxation processes. The effect of light-hole heavy-hole mixing is also discussed.