Related papers: Intermediate range order in (Fe,Al) silicate netwo…
Neutron diffraction has been used to study the lattice and magnetic structures of the insulating and superconducting Rb$_y$Fe$_{1.6+x}$Se$_2$. For the insulating Rb$_{y}$Fe$_{1.6+x}$Se$_2$, neutron polarization analysis and single crystal…
Iron oxides play an increasingly prominent role in heterogeneous catalysis, hydrogen production, spintronics and drug delivery. The surface or material interface can be performance limiting in these applications, so it is vital to determine…
Hydrogen embrittlement (HE) in austenitic stainless steels is advanced by hydrogen enhanced localized plasticity (HELP), typically accompanied by a transition from homogeneous to localized slip. Short-range order (SRO) in face-centered…
Grain boundaries are dominant imperfections in nanocrystalline materials that form a complex 3-dimensional (3D) network. Solute segregation to grain boundaries is strongly coupled to the grain boundary character, which governs the stability…
Recent fully relativistic calculations of radiative rates and electron impact excitation cross sections for Fe {\sc xiii} are used to generate emission-line ratios involving 3s$^{2}$3p$^{2}$--3s3p$^{3}$ and 3s$^{2}$3p$^{2}$--3s$^{2}$3p3d…
We present a thorough theoretical study of ordering phenomena in nitride ternary alloys GaInN, AlInN, and AlGaN. Using the Monte Carlo approach and energetics based on the Keating model we analyze the influence of various factors on…
An exact analytical expression for the static structure factor $S(k)$ in disordered materials is derived from Fourier transformed neighbor distribution decompositions in real space, and permits to reconstruct the function $S(k)$ in an…
Empirical potential structure refinement (EPSR) simulations are performed on total neutron scattering data from powder samples of polytetrafluoroethylene (PTFE) and polychlorotrifluoroethylene (PCTFE), both at 300K. For PTFE a number of…
A subtle balance between competing interactions in strongly correlated systems can be easily tipped by additional interfacial interactions in a heterostructure. This often induces exotic phases with unprecedented properties, as recently…
We review Intermediate Phases (IPs) in chalcogenide glasses and provide a structural interpretation of these phases. In binary group IV selenides, IPs reside in the 2.40 < r < 2.54 range, and in binary group V selenides they shift to a…
The outstanding demonstration of quantum confinement in Si nanocrystals (Si NC) in a SiC matrix requires the fabrication of Si NC with a narrow size distribution. It is understood without controversy that this fabrication is a difficult…
Nitrogen (N) fractionation is used as a tool to search for a link between the chemical history of the Solar System and star-forming regions. A large variation of $^{14}$N/$^{15}$N is observed towards different astrophysical sources, and…
Matrix-assisted formation of ferrihydrite, an iron oxide hydroxide analogue of the protein ferritin-core, in a sol-gel derived organic-inorganic hybrid is reported. The hybrid network (named di-ureasil) is composed of poly(oxyethylene)…
We present a neutron diffraction study of FeV2O4, which is rare in exhibiting spin and orbital degrees of freedom on both cation sublattices of the spinel structure. Our data confirm the existence of three structural phase transitions…
The discovery of the Fe pnictide superconductors generated great interest as the structure consists of planes of a magnetic material quite similar to the cuprate superconductors. Fe(Te0.5Se0.5) is a particularly simple system whose planes…
We combine the results of magnetic and transport measurements with neutron diffraction data to construct the structural and magnetic phase diagram of the entire family of SrMn$_{1-x}$Ru$_{x}$O$_3$ ($0 \leqslant x \leqslant 1$) perovskites.…
The exceptional mechanical strengths of medium and high-entropy alloys have been attributed to hardening in random solid solutions. Here, we evidence non-random chemical mixings in CrCoNi alloys, resulting from short range ordering. A novel…
The morphology evolution of Si (100) surfaces under 1200 eV Ar+ ion bombardment at normal incidence with and without metal incorporation is presented. The formation of nanodot patterns is observed only when the stationary Fe concentration…
A set of oxide and chalcogenide tetrahedral glasses are investigated using molecular dynamics simulations. It is shown that unlike stoichiometric selenides such as GeSe$_2$ and SiSe$_2$, germania and silica display large standard deviations…
The insulating magnetic material Fe3PO4O3 features a non-centrosymmetric lattice composed of Fe^{3+} triangular units. Frustration, due to competing near neighbor ($J_1$) and next nearest neighbor ($J_2$) antiferromagnetic interactions, was…