Related papers: Structure of chalcogenide glasses by neutron diffr…
Structural studies on Dy-substituted La-2125 type superconductors have been carried out by neutron diffraction experiments at room temperature using a monochromatic neutron beam of wavelength lambda = 1.249 Angstroms. A series of samples…
Linear-chain nickelates with the composition (Nd_x Y_{1-x})_2 Ba Ni O_5 (x=1, x=0.75, x=0.5, and x=0.25) are studied in a series of neutron scattering experiments. Powder diffraction is used to determine the temperature dependence of the…
Two theoretical models for the description of the diffraction properties of gradient crystals have been developed, one in the framework of the kinematic theory, the other within a transfer matrix formalism based on the dynamical theory of…
We present a study of the structural properties of (x)Na$_2$S-(1-x)GeS$_2$ glasses through DFT-based molecular dynamics simulations, at different sodium concentrations ($0<x<0.5$). We computed the radial pair correlation functions as well…
The structure of liquid N-methylformamide (NMF) has been investigated using synchrotron radiation at 77 and 95 keV. The use of high energy photons has several advantages, in this case especially the large accessible momentum transfer range,…
Accurate high-energy electron diffraction measurements of structure factors of NiO have been carried out to investigate how strong correlations in the Ni 3d shell affect electron charge density in the interior area of nickel ions and…
The ratio of the static matter structure factor measured in experiments on coherent X-ray scattering to the static structure factor measured in experiments on neutron scattering is considered. It is shown theoretically that this ratio in…
We present the low-temperature magnetic structures of SrGd$_2$O$_4$ combining neutron diffraction methods on polycrystalline and single-crystal samples containing the $^{160}$Gd isotope. In contrast to other members of the Sr$Ln_2$O$_4$…
We measured the local composition and thickness of SiO2-based glass material from diffraction. By using four dimensional scanning transmission electron microscopy (4D-STEM), we obtained diffraction at each scanning point. Comparing the…
We present a study on the modification of the electronic structure and hole-doping effect for the layered dichalcogenide WSe_2 with a multi-valley band structure, where Ta is doped on the W site along with a partial substitution of Te for…
Background: Semiconductor-doped glasses are treated actively through many years and continue to be of great interest because challenged features of nanosized semiconductors of various chemical nature. Copper chalcogenides have discovered…
Generative AI models, such as score-based diffusion models, have recently advanced the field of computational materials science by enabling the generation of new materials with desired properties. In addition, these models could also be…
Structural, electronic and optical properties of Cu2ZnSn(SxSe1-x)4 semiconductors are studied theoretically for different concentration of S and Se anions. The optical properties are calculated at three levels of theory, in the generalized…
The design of moderators and cold sources of neutrons is a key point in research-reactor physics, requiring extensive knowledge of the scattering properties of very important light molecular liquids such as methane, hydrogen and their…
The recently discovered Fe-pnictide and chalcogenide superconductors display low-temperature properties suggesting superconducting gap structures which appear to vary substantially from family to family, and even within families as a…
We have measured the transverse asymmetry from inclusive scattering of longitudinally polarized electrons from polarized 3He nuclei at quasi-elastic kinematics in Hall A at Jefferson Lab with high statistical and systematic precision. The…
We report a temperature-dependent neutron diffraction (ND) study on polycrystalline monoclinic BaIrO$_3$ which is famous for charge density wave (CDW) and weak ferromagnetic phase transitions at T$_C$$\sim$180 K simultaneously. A Rietveld…
In this work we study the electronic structure of Ag${}_3$AuSe${}_2$ and Ag${}_3$AuTe${}_2$, two chiral insulators whose gap can be tuned through small changes in the lattice parameter by applying hydrostatic pressure or choosing different…
Metal chalcogenide is a promising material for studying novel underlying physical phenomena and nanoelectronics applications. Here, we systematically investigate the crystal structure and electronic properties of the AlSe surface alloy on…
For a symmetry consistent theoretical description of the multiferroic phase of Ba$_2$CoGe$_2$O$_7$ a precise knowledge of its crystal structure is a prerequisite. In our previous synchrotron X-ray diffraction experiment on multiferroic…