相关论文: Temperature dependent total scattering structural …

We obtain the frequency and temperature dependence of the conductivity for (disordered) solids, where the temperature dependence is defined in terms of the related thermodynamic state function in exponential (or power law, etc.) forms. The…

We present the results of a large scale molecular dynamics computer simulation in which we investigated the static and dynamic properties of a silica melt in the temperature range in which the viscosity of the system changes from O(10^-2)…

Despite important breakthroughs in the last decade, the calculation of temperature dependent properties of solids still remains a challenging task, especially in the vicinity of structural phase transitions. We show that the combination of…

Synchrotron X-ray diffraction (XRD) experiments were performed on the network compounds Ba1-xSrxAl2O4 at temperatures between 15 and 800 K. The ferroelectric phase of the parent BaAl2O4 is largely suppressed by the Sr-substitution and…

Due to the strong lattice-property relationships which exist in complex oxide epitaxial layers, their electronic and magnetic properties can be modulated by structural distortions induced at the atomic scale. The modification and control…

Local structure of NdFeAsO$_{1-x}$F$_{x}$ ($x$=0.0, 0.05, 0.15 and 0.18) high temperature iron pnictide superconductor system is studied using arsenic $K$-edge extended x-ray absorption fine structure measurements as a function of…

The lattice properties at low temperatures of two samples of NdFeAsO1-xFx (x=0.05 and 0.25) have been examined in order to investigate possible structural phase transition that may occur in the optimally doped superconducting sample with…

The cubic perovskite-related ceramic CaCu3Ti4O12 has a very high static dielectric constant ~10000 at room temperature (RT), which drops to about 100 below about 100 K. Substituting Cd for Ca reduces the RT value of the dielectric constant…

Ferroelectric ceramics (Ba0.85Ca0.15)(Ti0.9Zr0.1-xSnx)O3 (x=0.00, 0.02, 0.04, 0.06) were prepared by a sol-gel method. Structural investigation revealed the co-existence of tetragonal (P4mm) and orthorhombic (Pmm2) symmetries at room…

We study the phase transition behavior of the ferroelectric BaTi$_{0.8}$Zr$_{0.2}$O$_3$ in the paraelectric region. The temperature dependencies of thermal, polar, elastic and dielectric properties indicate the presence of local structures…

Aliovalent rare earth substitution into the alkaline earth site of CaFe2As2 single-crystals is used to fine-tune structural, magnetic and electronic properties of this iron-based superconducting system. Neutron and single crystal x-ray…

In a recent experiment, Ma et al. measured the temperature dependence of the gap anisotropy of oxygen-annealed Bi$_{2}$Sr$_{2}$CaCu$_{2}$O$_{8+x}$. Their measurements were taken along the two directions $\Gamma - M$ and $\Gamma - X$. They…

We report on the dynamic and structural characterization of lithium metasilicate $Li_2SiO_3$, a network forming ionic glass, by means of molecular dynamics simulations. The system is characterized by a network of $SiO_4$ tetrahedra…

The two-dimensional polymer structure and lattice dynamics of the superionic conductor Li4 C60 are investigated by neutron diffraction and spectroscopy. The peculiar bonding architecture of this compound is definitely confirmed through the…

The nonstoichiometric NaxCoO2 system exhibits extraordinary physical properties that correlate with temperature and Na concentration in its layered lattice without evident long-range structure modification when conventional crystallographic…

The temperature dependence of the hexagonal lattice parameter $c$ of single crystal $\rm LaCoO_3$ (LCO) with $H=0$ and $800$Oe, as well as LCO bulk powders with $H=0$, was measured using high-resolution x-ray scattering near the transition…

The dependence of the Curie temperature Tc on nearly hydrostatic pressure has been determined to 17.2 GPa for the weak itinerant ferromagnetic SrRuO3 in both polycrystalline and single-crystalline form. Tc is found to decrease under…

We report on the crystal structure of the quantum magnet (CuCl)LaNb2O7 that was controversially described with respect to its structural organization and magnetic behavior. Using high-resolution synchrotron powder x-ray diffraction,…

These compounds have long been known as promising thermoelectric materials. Recently it was revealed, that they also have unconventional electronic topology. This renewed interest to the investigation of their transport properties. In order…

Highly-strained BiFeO3 exhibits a "tetragonal-like, monoclinic" crystal structure found only in epitaxial films (with an out-of-plane lattice parameter exceeding the in-plane value by >20%). Previous work has shown that this phase is…