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We report single crystal X-ray diffraction measurements on Na$_2$Ti$_{2}Pn_{2}$O ($Pn$ = As, Sb) which reveal a charge superstructure that appears below the density wave transitions previously observed in bulk data. From…
This study aimed primarily at completing and extending the characterization of the crystallographic, spectroscopic and optical properties of polar, biaxial, optically negative 2-aminopyrimidinium(1+) hydrogen phosphite. Besides the…
Hetero-epitaxial growth on a strain-relief vicinal patterned substrate has revealed unprecedented 2D long range ordered growth of uniform cobalt nanostructures. The morphology of a Co sub-monolayer deposit on a Au(111) reconstructed vicinal…
Hexagonal boron nitride (h-BN) nanomesh, a two-dimensional insulating monolayer, grown on the (111) surface of rhodium exhibits an intriguing hexagonal corrugation pattern with a lattice constant of 3.2 nm. Despite numerous experimental and…
The Langmuir-Hinshelwood barrier (ELH) and the pre-exponential factor ($\nu$LH) for CO oxidation have been measured at high temperature on hexagonal arrays of Pd clusters supported on an ultrathin alumina film on Ni3Al(111). The Pd clusters…
Powder X-ray Diffraction (PXRD) and Pair Distribution Function (PDF) analysis are well-established techniques for investigation of atomic configurations in crystalline materials, and the two are related by a Fourier transformation. In PXRD…
This work reports on the morphological and electrical properties of Ni-based back-side Ohmic contacts formed by laser annealing process for SiC power diodes. Nickel films, 100 nm thick, have been sputtered on the back-side of heavily doped…
Al occupancy and local structure (bond length and bond angles) for monoclinic \b{eta}-(AlxGa1-x)2O3 alloys, with Al compositions (x) up to 90%, have been determined from Rietveld refinement of x-ray diffraction data. Al atom preferentially…
The local structure of the AgPbmSbTem+2 series of thermoelectric materials has been studied using the atomic pair distribution function (PDF) method. Three candidate-models were attempted for the structure of this class of materials using…
We considered the structure of steady-state plane-parallel radiative shock waves propagating through the partially ionized hydrogen gas of temperature T_1 = 3000K and density 1e-12 gm/cm^3 <= \rho_1 <= 1e-9 gm/cm^3. The upstream Mach…
We have presented the results of our next-to-next-to-leading order (NNLO) QCD analysis of nuclear parton distribution functions (nuclear PDFs) [Phys. Rev. D 93 (2016) 014026, arXiv:1601.00939 [hep-ph]] using all available neutral current…
III-V nanowires are comprehensively studied because of their suitability for optoelectronic quantum technology applications. However, their small dimensions and the spatial separation of carriers from the wire surface render electrical…
We investigated the influence of oxygen over-stoichiometry on apical oxygen disorder and magnetic correlations in Nd2NiO4+d (d~0.11) in the temperature range of 2-300 K by means of synchrotron x-ray powder diffraction, neutron single…
Ba(Fe$_{1/2}$Nb$_{1/2}$)O$_3$ (BFN) ceramics are considered to be promising for technological applications owing to their high dielectric constant over a wide range of temperatures. However, there exists considerable discrepancy over the…
We utilize single-crystal neutron diffraction to study the $C2/m$ structure of potassium hydrogen carbonate (KHCO$_3$) and macroscopic quantum entanglement above the phase transition at $T_c = 318$ K. Whereas split atom sites could be due…
The descloizite-type compound, SrMn(VO4)(OH), was synthesized as large single crystals using a high-temperature high-pressure hydrothermal technique. X-ray single crystal structure analysis reveals that the material crystallizes in the…
We report a first principles study based on density functional theory on the structural and electronic properties of transition metal Zr and Hf doped small aluminum clusters with 1 to 7 aluminum atoms. We have used B3PW91 with LANL2DZ basis…
Growth and structures of crystals in the model of Al obtained in results of isothermal annealing after quick cooling to certain temperatures are studied by the method of molecular dynamics applying the known potential of EAM type. The…
Synchrotron X-ray diffraction investigations of two single crystals of Na_xCoO_2 from different batches with composition x = 0.525-0.530 reveal homogeneous incommensurate sodium ordering with propagation vector (0.53 0.53 0) at…
The structural characterization of sol-gel based nano crystalline ZnO material is being reported as we observe several previously unreported structural aspects following a sequence of annealing stages. As-grown samples were characterised by…