γ-BaFeO: a fresh playground for room temperature multiferroicity.

Multiferroics, showing the coexistence of two or more ferroic orderings at room temperature, could harness a revolution in multifunctional devices. However, most of the multiferroic compounds known to date are not magnetically and electrically ordered at ambient conditions, so the discovery of new materials is pivotal to allow the development of the field. In this work, we show that BaFeO is a previously unrecognized room temperature multiferroic.

Centrosymmetry Breaking and Ferroelectricity Driven by Short-Range Magnetic Order in the Quadruple Perovskite (YMn)MnO.

By means of single-crystal X-ray diffraction, we give direct crystallographic evidence of a centrosymmetry breaking below = 200 K, concomitant with the onset of a commensurate structural modulation in the quadruple perovskite YMnMnO. This result, which explains the anomalously large thermal coefficient of the Y ion in previously reported structural models, is attributed to the small size of the Y ion, which causes its underbonding within the dodecahedral coordination polyhedron. The present data are consistent with a commensurate superstructure described by an I-centered pseudo-orthorhombic cell with polar symmetry and ≈ √2 = 10.

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].

Synthesis and crystal structure of 4-fluoro-benzyl-ammonium di-hydrogen phosphate, [FCHCHNH]HPO.

The asymmetric unit of the title salt, [-FCHCHNH]·HPO, contains one 4-fluoro-benzyl-ammonium cation and one di-hydrogen phosphate anion. In the crystal, the HPO anions are linked by O-H⋯O hydrogen bonds to build corrugated layers extending parallel to the plane. The FCHCHNH cations lie between these anionic layers to maximize the electrostatic inter-actions and are linked to the HPO anions through N-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular network.

Crystal Structure and Ferroelectric Properties of ε-GaO Films Grown on (0001)-Sapphire.

The crystal structure and ferroelectric properties of ε-GaO deposited by low-temperature MOCVD on (0001)-sapphire were investigated by single-crystal X-ray diffraction and the dynamic hysteresis measurement technique. A thorough investigation of this relatively unknown polymorph of GaO showed that it is composed of layers of both octahedrally and tetrahedrally coordinated Ga sites, which appear to be occupied with a 66% probability. The refinement of the crystal structure in the noncentrosymmetric space group P6mc pointed out the presence of uncompensated electrical dipoles suggesting ferroelectric properties, which were finally demonstrated by independent measurements of the ferroelectric hysteresis.

Synthesis and crystal structure of 4-(2-ammonio-eth-yl)morpholin-4-ium di-chlorido-diiodido-cadmate/chlorido-tri-iodido-cadmate (0.90/0.10).

The crystal structure of the title compound, (CHNO)[CdClI], a new organic-inorganic hybrid salt synthesized in the form of single crystals, consists of discrete statistically distributed di-chlorido-diiodido-cadmate/chlorido-tri-iodido-cadmate anions (occupancy ratio 0.90:0.10) and 4-(2-ammonio-eth-yl)morpholin-4-ium cations, [NH(CH)NH(CH)O].

Crystal structure of non-centrosymmetric bis-(4-meth-oxy-benzyl-ammonium) tetra-chlorido-zincate.

The structure of the title non-centrosymmetric organic-inorganic hybrid salt, (C8H12NO)2[ZnCl4], consists of two 4-meth-oxy-benzyl-ammonium cations sandwiched between anionic layers, formed by isolated tetra-chlorido-zincate tetra-hedra. The double layers extend parallel to the ac plane. The crystal packing is assured by Coulombic inter-actions and by a complex N-H⋯Cl and C-H⋯Cl hydrogen-bonding system mostly involving the positively charged ammonium groups and the chloride ligands of the isolated tetra-hedral [ZnCl4](2-) units.

Poling-Written Ferroelectricity in Bulk Multiferroic Double-Perovskite BiFe0.5Mn0.5O3.

We present a comprehensive study of the electrical properties of bulk polycrystalline BiFe0.5Mn0.5O3, a double perovskite synthesized in high-pressure and high-temperature conditions.

Improper Ferroelectric Contributions in the Double Perovskite Pb2Mn0.6Co0.4WO6 System with a Collinear Magnetic Structure.

The physical characterization and the extended crystallographic study of the double perovskite system Pb2Mn0.6Co0.4WO6 indicate an improper ferroelectric contribution to the polarization induced by the magnetic ordering.

Field effects on spontaneous magnetization reversal of bulk BiFe0.5Mn0.5O3, an effective strategy for the study of magnetic disordered systems.

We report a comprehensive study of the spontaneous magnetization reversal (MRV) performed on the disordered polycrystalline perovskite BiFe(0.5)Mn(0.5)O(3), an intriguing compound synthesized in high pressure-high temperature conditions.

Crystal structure of zwitterionic 3-(2-hy-droxy-2-phospho-nato-2-phosphono-eth-yl)imidazo[1,2-a]pyridin-1-ium monohydrate (minodronic acid monohydrate): a redetermination.

In a previous study, the X-ray structure of the title compound, C9H12N2O7P2·H2O, was reported [Takeuchi et al., (1998 ▶). Chem.

Porous molecular crystals by macrocyclic coordination supramolecules.

In this study, we show how the combination of metal ions, counter-anions and opportunely functionalized and preorganized ligands gives rise to two distinct supramolecular isomers, coordination polymeric chains and hexameric macrocycles. The hexamers then aggregate to form a cubic structure exhibiting permanent microporosity. The supramolecular assemblies are formed with Ag(+), thioether functionalized bis(pirazolyl)methane ligands and CF3SO3(-)/PF6(-) as the counter-anions.

Structural and electric evidence of ferrielectric state in Pb₂MnWO₆ double perovskite system.

In this paper we describe the new ferri-electric compound Pb2MnWO6 (PMW), a double perovskite that can be considered as a novel structural prototype showing complex nuclear structure and interesting electric properties. According to single-crystal synchrotron data, PMW crystallizes in the noncentrosymmetric polar group Pmc21, in which the two symmetry-independent lead atoms give rise to a ferrielectric arrangement. The accurate crystallographic characterization indicates the presence of a complex distortion of the perovskite lattice driven by the local instability induced by the 6s(2) lone pair of the lead atoms.

Structural evolution under pressure of BiMnO3.

The structural behavior of BiMnO3 under pressure was studied in a quantitative way by single-crystal synchrotron X-ray diffraction up to 36 GPa. Two phase transitions were observed at moderate pressures (1 and 6 GPa, respectively), leading the system at first to the P21/c and then to the Pnma symmetry. The breaking of C-centering in the first transition does not affect significantly Jahn-Teller (JT) distortion and orbital order (OO) but determines a significant change in the cooperative tilting of the MnO6 octahedra.

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.

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.

Triangular exchange interaction patterns in K3Fe6F19: an iron potassium fluoride with a complex tungsten bronze related structure.

The synthesis and structural and magnetic characterizations of K3Fe6F19, a new iron potassium fluoride with a complex tungsten bronze related structure, are presented. This phase was found during the investigation of relatively low-temperature (600 °C) synthesis conditions of classical tetragonal tungsten bronze (TTB) fluorides and can be considered an intermediate that forms at this temperature owing to faster crystallization kinetics. The K3Fe6F19 compound has an orthorhombic structure (space group Cmcm (63), a = 7.

Influence of anions in silver supramolecular frameworks: structural characteristics and sorption properties.

The complexation of a preorganized thioether-functionalized bis(pyrazolyl)methane ligand (L) with silver precursors produces supramolecular structures organized at two hierarchical levels: [AgL](6)(X)(6) metal-organic cyclic hexamers and their organization in 3D architectures. The cyclic toroidal hexamers of 22-26 Å external diameter are found to be stable already in solution before self-assembly into the crystalline state. In the 3D lattice, the hexameric building block are arranged in different highly symmetric space groups as a function of a variety of anions (cubic Fd3 with PF(6)(-) or BF(4)(-) and rhombohedral R3 with CF(3)SO(3)(-) or NO(3)(-)) and form cavities with the geometrical shapes of Platonic solids (tetrahedron and octahedron) that can be occupied by a variety of solvent molecules.

Using high pressure to prepare polymorphs of the Ba2Co(1-x)Zn(x)S3 (0 ≤ x ≤ 1.0) compounds.

In this work, high pressure was used as a tool to induce structural transition and prepare metastable polymorphs of ternary sulfides. Structural transformations under high pressure of compounds belonging to the Ba(2)Co(1-x)Zn(x)S(3) (0 ≤ x ≤ 1.0) series were studied using X-ray diffraction and electron microscopy.

Ultrathin Bi2S3 nanowires: surface and core structure at the cluster-nanocrystal transition.

Herein, we present the structural characterization of the core and surface of colloidally stable ultrathin bismuth sulfide (Bi(2)S(3)) nanowires using X-ray Absorption Spectroscopy (EXAFS and XANES), X-ray Photoelectron Spectroscopy (XPS), and Nuclear Magnetic Resonance (NMR). These three techniques allowed the conclusive structural characterization of the inorganic core as well as the coordination chemistry of the surface ligands of these structures, despite the absence of significant translational periodicity dictated by their ultrathin diameter (1.6 nm) and their polycrystallinity.

The relationship between nanoscale architecture and charge transport in conjugated nanocrystals bridged by multichromophoric Polymers.

We report on the self-assembly and the electrical characterization of bicomponent films consisting of an organic semiconducting small molecule blended with a rigid polymeric scaffold functionalized in the side chains with monomeric units of the same molecule. The molecule and polymer are a perylene-bis(dicarboximide) monomer (M-PDI) and a perylene-bis(dicarboximide)-functionalized poly(isocyanopeptide) (P-PDI), which have been codeposited on SiO(x) and mica substrates from solution. These bicomponent films have been characterized by atomic force microscopy (AFM) and Kelvin probe force microscopy (KPFM), revealing the relationship between architecture and function for various supramolecular nanocrystalline arrangements at a nanometer spatial resolution.

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.

Size-dependent extinction coefficients of PbS quantum dots.

We report here on a detailed study on PbS colloidal quantum dots. A characterization via X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM) allowed us to reliably determine the diameter and the shape of the nanocrystals. These data, together with second-derivative analysis of the absorption spectra, allowed us to determine the size dependence of seven transitions in the absorption spectrum; some of these transitions were identified on the basis of their normalized confinement energy.

Template evaporation method for controlling anatase nanocrystal size in ordered macroporous TiO2.

The importance of pure-phase titanium oxide materials as catalysts, sensors, and photonic band-gap materials has been growing steadily. Recently, more attention has been focused on nanostructured titanium oxide showing controlled and periodic porosity on a nanometric scale. The nanocrystal size control of porous nanostructured titanium oxide in an anatase form is a crucial step for the organic template method.

A simple geometrical model for emulsifier free polymer colloid formation.

In this paper we propose a simple model for the formation of monodisperse polymer colloids, which provides a convenient set of synthetic parameters for given bead diameters. We provide experimental data in support of this model.