A study of "inverted" core-shell, MnO/gamma-Mn(2)O(3), nanoparticles is presented. Crystal and magnetic structures and characteristic sizes have been determined by neutron diffraction for the antiferromagnetic core (MnO) and the ferrimagnetic shell (gamma-Mn(2)O(3)). Remarkably, while the MnO core is found to have a T_{N} not far from its bulk value, the magnetic order of the gamma-Mn(2)O(3) sh...

The available data on the structural and magnetic transitions in multiferroic hexagonal YMnO3 have been reviewed, first making use of the computer programs from the group theoretical ISOTROPY software suite to list possible crystal and magnetic structures, then taking into account the capability of neutron diffraction and other physical methods to distinguish them. This leads to a clear view of...

The reactions of Me(2)NH·BH(3) with cationic Rh(III) and Ir(III) complexes have been shown to generate the 18-electron aminoborane adduct [Ir(IMes)(2)(H)(2){κ(2)-H(2)BNMe(2))](+) and the remarkable 14-electron aminoboryl complex [Rh(IMes)(2)(H)-{B(H)NMe(2))](+). Neutron diffraction studies have been used for the first time to define H-atom locations in metal complexes of this type formed under ...

Neutron diffraction with H/D isotopic substitution is used to investigate the structure of low density amorphous ice produced from (1) high density amorphous ice by isobaric warming and (2) very high density amorphous ice by isothermal decompression. Differences are found in the scattering patterns of the two low density amorphous ices that correlate with structural perturbations on intermediat...

20 IMR KINKEN Research Highlights 2009 Future Energy / Environmental Materials By systematic crystal structure refinements of characteristic superconductor, FeSe1-xTex (x= 0.5, 0.625, 0.75, 0.875) and FeSe by the powder neutron diffraction technique, we studied the relationship between crystal structre and superconductivity. In this work, we found the role of Fe-X network (X; calcogens, pnictog...

We report the first case of the successful measurements of a localized spin antiferromagnetic transition in delafossite-type PdCrO2 by angle-resolved photoemission spectroscopy (ARPES). This demonstrates how to circumvent the shortcomings of ARPES for investigation of magnetism involved with localized spins in limited size of two-dimensional crystals or multi-layer thin films that neutron scatt...

Solid-state geometry optimizations and corresponding normal-mode analysis of the widely used energetic material cyclotrimethylenetrinitramine (RDX) were performed using density functional theory with both the generalized gradient approximation (BLYP and BP functionals) and the local density approximation (PWC and VWN functionals). The structural results were found to be in good agreement with e...

MnAs exhibits a first-order phase transition from a ferromagnetic, high-spin metal hexagonal phase to a paramagnetic, lower-spin insulator orthorhombic phase at T(C)=313 K. Here, we report the results of neutron diffraction experiments showing that an external magnetic field, B, stabilizes the hexagonal phase above T(C). The phase transformation is reversible and constitutes the first demonstra...

We present a detailed analysis of the heat capacity of a near-perfect S=1/2 kagome antiferromagnet, zinc paratacamite Zn(x)Cu(4-x)(OH)(6)Cl(2), as a function of stoichiometry x-->1 and for fields of up to 9 T. We obtain the heat capacity intrinsic to the kagome layers by accounting for the weak Cu2+/Zn2+ exchange between the Cu and the Zn sites, which was measured independently for x=1 using ne...

The magnetic properties of Ni-Mo metallic superlattices have been examined by magnetization and polarized-neutron diffraction measurements. The samples are ferromagnetic, with an ordering temperature rapidly increasing with the superlattice period A. The saturation magnetization per nickel atom also increases with A, gradually approaching the value of the pure metal. The proximity of molybdenum...