Related papers: Temperature dependent total scattering structural …
The temperature dependence of the solid-liquid interfacial free energy, {\gamma}, is investigated for Al and Ni at the undercooled temperature regime based on a recently developed persistent-embryo method. The atomistic description of the…
Environmentally benign (1-x)Ba(Ti$_{0.8}$Zr$_{0.2}$)O$_3$-x(Ba$_{0.7}$Ca$_{0.3}$)TiO$_3$ (BZT-BCT) ceramics are promising materials due to their remarkable high piezoresponse [Liu and Ren, Phys. Rev. Lett. \textbf{103}, 257602 (2009)]. In…
We investigated the dielectric response of CaCu$_3$Ti$_4$O$_{12}$ (CCTO) thin films grown epitaxially on LaAlO$_3$ (001) substrates by Pulsed Laser Deposition (PLD). The dielectric response of the films was found to be strongly dominated by…
High resolution synchrotron X-ray powder diffraction (SXRPD) was used to study the temperature dependence of the oxygen deficient NdFeAsO$_{0.85}$ superconducting compound. By employing a dense temperature sampling we have managed to reveal…
The infinite-dimensional Hubbard model is studied by means of a modified perturbation theory. The approach reduces to the iterative perturbation theory for weak coupling. It is exact in the atomic limit and correctly reproduces the…
We present local structural evidence supporting the presence of charge inhomogeneities in the CuO2 planes of underdoped La2-xSrxCuO4. High-resolution atomic pair distribution functions have been obtained from neutron powder diffraction data…
We report a comprehensive study of dc susceptibility, specific heat, neutron diffraction, and inelastic neutron scattering measurements on polycrystalline Ba3(Cr1-xVx)2O8 samples, where x=0, 0.06, 0.15, and 0.53. A Jahn-Teller structure…
We report intrinsic tunnelling data for mesa structures fabricated on three over- and optimally-doped $\rm{Bi_{2.15}Sr_{1.85}CaCu_{2}O_{8+\delta}}$ crystals with transition temperatures of 86-78~K and 0.16-0.19~holes per CuO$_2$ unit, for a…
The temperature behaviour in the range 22\degree C to 500\degree C of the dielectric permittivity in the infrared range is investigated for CaF2, BaF2 and Al2O3 through reflectivity measurements. The dielectric permittivity is retrieved by…
The crystal structure of Na0.5CoO2, determined by powder neutron diffraction, is reported. The structure consists of layers of edge-shared CoO6 octahedra in a triangular lattice, with Na ions occupying ordered positions in the interleaving…
We describe the low temperature behaviour of the magnetic susceptibility of Cd2Re2O7 in terms of a Landau theory of structural phase transitions. We calculate the zero temperature Pauli susceptibility using a tight-binding approach to…
The optical properties the high-temperature superconductor La{2-x}Ba{x}CuO{4} have been measured over a wide frequency and temperature range for light polarized in the a-b planes and along the c axis. Three different Ba concentrations have…
The structure and transport properties of SiO2-Al2O3 melts containing 13 mol% and 47 mol% Al2O3 are investigated by means of large scale molecular dynamics computer simulations. The interactions between the atoms are modelled by a pair…
The statistical-thermodynamic dislocation theory developed in previous papers is used here in an analysis of high-temperature deformation of aluminum and steel. Using physics-based parameters that we expect theoretically to be independent…
Aqueous mixtures of 1-propanol have been investigated by high-energy synchrotron X-ray diffraction upon cooling. X-ray weighted total scattering structure factors of 6 mixtures, from 8 mol% to 89 mol% alcohol content, as well as that of…
The angle dependence at different temperatures of the longitudinal thermal conductivity $\kappa_{xx}(\theta)$ in the presence of a planar magnetic field is presented. In order to study the influence of the gap symmetry on the thermal…
Thermoelectric properties of the type-I clathrates Ba$_8$Cu$_x$Si$_{46-x}$ ($3.6 \leq x \leq 7$, $x$ = nominal Cu content) are investigated both experimentally and theoretically. The polycrystalline samples are prepared either by melting,…
The investigation of temperature dependence of damping and period of vibrations of HTSC superconductive cylinder of Bi-Pb-Sr-Ca-Cu-O system suspended by a thin elastic thread and performing axial-torsional vibrations in a magnetic field at…
Calcium carbonate plays a crucial role in the global carbon cycle, and its phase diagram has always been of significant scientific interest. In this study, we used molecular dynamics (MD) to investigate several structural phase transitions…
Recent experimental data on the diffusion coefficient of carbon in alpha-iron below liquid nitrogen temperature (LNT) question the classical approach to the observed temperature dependence. As the temperature is lowered below LNT, the…