Singling out the effect of quenched disorder in the phase diagram of cuprates.

We investigate the specific influence of structural disorder on the suppression of antiferromagnetic order and on the emergence of cuprate superconductivity. We single out pure disorder, by focusing on a series of [Formula: see text] samples at fixed oxygen content y  = 0.35, in the range [Formula: see text]. The gradual Y/Eu isovalent substitution smoothly drives the system through the Mott-insulator to superconductor transition from a full antiferromagnet with Néel transition [Formula: see text] K at z = 0 to a bulk superconductor with superconducting critical temperature [Formula: see text] K at z = 1, [Formula: see text]. The electronic properties are finely tuned by gradual lattice deformations induced by the different cationic radii of the two lanthanides, inducing a continuous change of the basal Cu(1)-O chain length, as well as a controlled amount of disorder in the active Cu(2)O2 bilayers. We check that internal charge transfer from the basal to the active plane is entirely responsible for the doping of the latter and we show that superconductivity emerges with orthorhombicity. By comparing transition temperatures with those of the isoelectronic clean system we determine the influence of pure structural disorder connected with the Y/Eu alloy.

Band filling effect on polaron localization in La1-x(Ca(y)Sr1-y)xMnO3 manganites.

We report on a ìSR and 55 Mn NMR investigation of the magnetic order parameter as a function of temperature in the optimally doped La(5/8)(CaySr(1.y))(3/8)MnO3 and in the underdoped La1.xSrxMnO3 and La1.xCaxMnO3 metallic manganite families. The study is aimed at unravelling the effect of lattice distortions, implicitly controlled by the Ca-Sr isoelectronic substitution, from that of hole doping x on the Curie temperature TC and the order of the magnetic transition. At optimal doping, the transitions are second order at all y values, including the y = 1 (La(5/8)Ca(3/8)MnO3) end member. By contrast, they are first order in the underdoped samples, which show a finite (truncated) order parameter at the Curie point, including La(0.75)Sr(0.25)MnO3 whose TC is much higher than that of La(5/8)Ca(3/8)MnO3. The order parameter curves, on the other hand, exhibit a very minor dependence on x, if truncation is excepted. This suggests that the effective exchange interaction between Mn ions is essentially governed by local distortions, in agreement with the original double-exchange model, while truncation is primarily, if not entirely, an effect of under- or over-doping. A phase diagram, separating in the x.y plane polaron-driven first order transitions from regular second order transitions governed by critical fluctuations, is proposed for the La(1.x)(CaySr(1.y))xMnO3 system.

Zn vacancy induced green luminescence on non-polar surfaces in ZnO nanostructures.

Although generally ascribed to the presence of defects, an ultimate assignment of the different contributions to the emission spectrum in terms of surface states and deep levels in ZnO nanostructures is still lacking. In this work we unambiguously give first evidence that zinc vacancies at the (1010) nonpolar surfaces are responsible for the green luminescence of ZnO nanostructures. The result is obtained by performing an exhaustive comparison between spatially resolved cathodoluminescence spectroscopy and imaging and ab initio simulations. Our findings are crucial to control undesired recombinations in nanostructured devices.

Ferromagnetism on a paramagnetic host background: the case of rutile TM:TiO(2) single crystals (TM = Cr, Mn, Fe, Co, Ni, Cu).

Single crystals of TiO(2) rutile doped with Cr, Mn, Fe, Co, Ni, and Cu were grown with the flux method in a Na(2)B(4)O(7) melt. The samples, checked in their structural and phase homogeneity by x-ray diffraction and micro-Raman spectroscopy, were single-phase needle-shaped crystals several millimetres long. Paramagnetic and ferromagnetic behaviours at room temperature were observed and they are discussed also in connection with the magnetic properties of undoped TiO(2) crystals.

Neutron diffraction study of phi-Bi(8)Pb(5)O(17): structure refinement and analysis of cationic ordering.

The triclinic crystal structure of the varphi phase in the structure of the Bi(2)O(3)-PbO phase diagram has been recently solved by the synergetic use of electron and X-ray diffraction on a polycrystalline Bi(8)Pb(5)O(17) sample. In the present work the problem is re-examined on the basis of powder neutron diffraction data: the structure has been confirmed and refined by the Rietveld method. The increased accuracy of the O-atom positions allowed the study of the cationic ordering in this structure by means of bond-valence calculations and charge distribution analysis. The results, confirmed by the refinement of the site occupancies, indicate that the structure is ordered to a large extent, with Bi and Pb atoms occupying preferentially different lattice sites. In this frame, the varphi phase being the most ordered one in the considered region of the Bi(2)O(3)-PbO phase diagram, it should represent the thermodynamically stable low-temperature polymorph.

QED v 1.0: a software package for quantitative electron diffraction data treatment.

A new software package for quantitative electron diffraction data treatment of unknown structures is described. No "a priori" information is required by the package which is able to perform in successive steps the 2-D indexing of digitised diffraction patterns, the extraction of the intensity of the collected reflections and the 3-D indexing of all recorded patterns, giving as results the lattice parameters of the investigated structure and a series of data files (one for each diffraction pattern) containing the measured intensities and the relative e.s.d.s of the 3-D indexed reflections. The software package is mainly conceived for the treatment of diffraction patterns taken with a Gatan CCD Slow-Scan Camera, but it can also deal with generic digitised plates. The program is designed to extract intensity data suitable for structure solution techniques in electron crystallography. The integration routine is optimised for a correct background evaluation, a necessary condition to deal with weak spots of irregular shape and an intensity just above the background.

Structure determination of phi-Bi8Pb5O17 by electron and powder X-ray diffraction

The triclinic crystal structure of phi-Bi8Pb5O17, a ionic fast conductor material, has been determined by the synergy of both electron and powder X-ray crystallography. The heavy atom positions were found by direct methods on electron diffraction data and the structure was completed by iterative use of a priori information in direct methods and difference Fourier maps on both types of data. Structure refinement was performed by the Rietveld method on powder X-ray data. The results suggest that phi-Bi8Pb5O17 is an ordered phase, with Bi and Pb atoms occupying different sites of the lattice, at variance with the other structural phases known for similar composition in the Bi-Pb-O phase diagram, which are solid solutions characterised by a wide compositional range.