X-ray powder data and bond valence of La0.65Sr0.35MnO3 after Rietveld refinement

Powder X-ray diffraction (XRD) data were collected for La0.65Sr0.35MnO3 prepared through an alternative method from a stoichiometric mixture of Mn2O3, La2O3, and SrO2, fired at 1300 degreesC for 16 h. XRD analysis using the Rietveld method was carried out and it was found that manganite has rhombohedral symmetry (space group R(3) over bar c). The lattice parameters are found to be a=5.5032 Angstrom and c=13.3674 Angstrom. The bond valence computation indicates that the initial inclusion of Sr occurs at higher temperature. (C) 2002 International Centre for Diffraction Data.

Resonant x-ray diffraction as a tool to calculate mixed valence ratios: Application to Prussian Blue materials

An approach is proposed here to calculate mixed valence ratios in molecular compounds. Synchrotron x-ray powder diffraction experiments were conducted to determine the Fe(+3)/Fe(+2) ratio in Prussian Blue compounds, which were elected as an example of the use of this approach. As a result, a resonant x-ray diffraction measurement provided direct evidence that the vacant [Fe(CN)(6)] group was randomly absent from similar to 31% of the structure, which was indicated by structural differences caused by variations in the anomalous dispersion term. These findings are very important for a deeper understanding of the changes occurring in properties during in situ compositional variations. (c) 2008 American Institute of Physics.

EPR linewidth of local magnetic moments diluted in Ce intermediate-valence compounds

Anomalous thermal behavior on the EPR linewidths has been observed for Gd impurities diluted in CexA1-xBn (A=La,Y, B=Ir,Os,Rh,Pd) intermediate-valence compounds. In this work we show that the exchange interaction between the local magnetic moments and the intermediate-valence host ions has an important contribution to the relaxation rates of the local moments. We calculated the relaxation, using the Redfield formalism and the ideas contained in the interconfigurational fluctuation model of Hirst. We show that the exchange interaction contribution has an exponential dependence on the excitation energy of the intermediate-valence ions. © 1992 The American Physical Society.

Lattice effects in the quasi-two-dimensional valence-bond-solid Mott insulator EtMe3P[Pd(dmit)(2)](2)

The organic charge-transfer salt EtMe3P[Pd(dmit)(2)](2) is a quasi-two-dimensional Mott insulator with localized spins S = 1/2 residing on a distorted triangular lattice. Here we report measurements of the uniaxial thermal expansion coefficients alpha(i) along the in-plane i = a and c axis as well as along the out-of-plane b axis for temperatures 1.4 K <= T <= 200 K. Particular attention is paid to the lattice effects around the phase transition at T-VBS = 25 K into a low-temperature valence-bond-solid phase and the paramagnetic regime above where effects of short-range antiferromagnetic correlations can be expected. The salient results of our study include (i) the observation of strongly anisotropic lattice distortions accompanying the formation of the valence-bond-solid phase, and (ii) a distinct anomaly in the thermal expansion coefficients in the paramagnetic regime around 40 K. Our results demonstrate that upon cooling through T-VBS the in-plane c axis, along which the valence bonds form, contracts while the second in-plane a axis elongates by the same relative amount. Surprisingly, the dominant effect is observed for the out-of-plane b axis which shrinks significantly upon cooling through T-VBS. The pronounced anomaly in alpha(i) around 40 K is attributed to short-range magnetic correlations. It is argued that the position of this maximum, relative to that in the magnetic susceptibility around 70 K, speaks in favor of a more anisotropic triangular-lattice scenario for this compound than previously thought.

Optical properties of polydisperse submicrometer aggregates of sulfur-containing zinc oxide consisting of spherical nanocrystallites

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Chemical deposition of La0.7Ca0.3MnO3±δ films on ceramic substrates

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Structural, electronic structure and magnetic studies of SmFe1-xNixO3 (x <= 0.5)

We present the structural, electronic structure and magnetic studies of Ni doped SmFeO3. The X-ray diffraction (XRD) studies confirm the single phase nature of the samples having orthorhombic Pbnm structure and the unit-cell volume is decreasing with the increase of Ni concentration. X-ray absorption spectroscopy (XAS) studies on O K. Fe L-3.2, Ni L-3.2 and Sm M-5.4 edges of SmFe1-xNixO3 (x <= 0.5) samples along with the reference compounds revealed the homo-valence state of Fe and Ni in these materials. From magnetization studies it has been observed the materials exhibit ferromagnetic and anti-ferromagnetic sub-lattices, which are strongly dependent on the thermo-magnetic state of the system. (C) 2010 Elsevier B.V. All rights reserved.

The optical absorption edge of nanocrystalline Ga(1-x)Mn(x)N films deposited by reactive sputtering

We have focused on the optical absorption edge of nanocrystalline Ga(1-x)Mn(x)N (0.00 <= x <= 0.18) films deposited by reactive RF magnetron sputtering. The films obtained are nanocrystalline with grain sizes of about 25 nm, having wurtzite structure and strong orientation texture in the c-axis direction. The optical characterizations of the absorption edges were obtained in the 190-2600 nm spectral range. The increase of the Mn content causes an increase of the absorption coefficient which can be clearly noticed at low energies, and a quasi-linear decrease of the optical gap. Broad absorption bands observed around similar to 1.3 and similar to 2.2 eV were associated with transitions between the Mn acceptor level and the valence and conduction bands, respectively. The observed changes in the optical properties due to the Mn incorporation observed in these nanocrystalline films are similar to those reported for ferromagnetic GaMnN single-crystal films.

Magnetic interactions and spin-reversal mechanism in ErMn1-xCoxO3-delta samples

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Toward an understanding of intermediate- and short-range defects in ZnO single crystals. A combined experimental and theoretical study

A joint use of experimental and theoretical techniques allows us to understand the key role of intermediate- and short-range defects in the structural and electronic properties of ZnO single crystals obtained by means of both conventional hydrothermal and microwave-hydrothermal synthesis methods. X-ray diffraction, Raman spectra, photoluminescence, scanning electronic and transmission electron microscopies were used to characterize the thermal properties, crystalline and optical features of the obtained nano and microwires ZnO structures. In addition, these properties were further investigated by means of two periodic models, crystalline and disordered ZnO wurtzite structure, and first principles calculations based on density functional theory at the B3LYP level. The theoretical results indicate that the key factor controlling the electronic behavior can be associated with a symmetry breaking process, creating localized electronic levels above the valence band.

Experimental and theoretical studies on the enhanced photoluminescence activity of zinc sulfide with a capping agent

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)