Related papers: Atomic displacements in the "charge-ice" pyrochlor…
To leading order in displacement size, the scattering of electrons in a Cu-O plane from O displacements perpendicular to that plane is due to spin-orbit coupling. This scattering is investigated with the following results: (1) As a…
Elastic and inelastic neutron scattering studies have been carried out on the pyrochlore magnet Ho2Ti2O7. Measurements in zero applied magnetic field show that the disordered spin ice ground state of Ho2Ti2O7 is characterized by a pattern…
As a simple cubic system with only one f electron per cerium ion, CeB6 is of model character to investigate the interplay of orbital phenomena with magnetism. It is also a textbook example of a compound that exhibits magnetically hidden…
We report inelastic neutron scattering measurements from our newly synthesized single crystals of the structurally metastable antiferromagnetic pyrochlore Yb$_{2}$Ge$_{2}$O$_{7}$. We determine the four symmetry-allowed nearest-neighbor…
In spin ice research, small variations in structure or interactions drive a multitude of different behaviors, yet the collection of known materials relies heavily on the `227' pyrochlore structure. Here, we present thermodynamic, structural…
Generally displacement fields in the vicinity of voids were determined by the equations of theory of elasticity. Such a description has its disadvantages as it does not take into account the discrete atomic structure of materials and it…
The local atomic structure of superconducting NdO$_{1-x}$F$_{x}$BiS$_{2}$ ($x$=0.2 and 0.4) is investigated using neutron diffraction and the pair density function analysis technique. In the non-superconducting $x$=0.2 composition,…
The cubic, stoichiometric oxide compounds Bi2Ti2O6O' (also written Bi2Ti2O7) and Bi2Ru2O6O' (also written Bi2Ru2O7) have in common lone-pair active Bi3+ cations on the pyrochlore A-site with a propensity to off-center. Unlike Bi2Ti2O6O',…
Material properties depend sensitively on picometer scale atomic displacements introduced by local chemical fluctuations. Direct real-space, high spatial-resolution measurements of this compositional variation and corresponding distortion…
We report the single-crystal X-ray analysis of the structure of the pyrochlore oxide superconductor KOs$_2$O$_6$. The structure was identified as the $\beta$-pyrochlore structure with space group $Fd\bar{3}m$ and lattice constant $a$ =…
We present neutron diffraction analysis of BaFe$_2$(As$_{1-x}$P$_x$)$_2$ over a wide temperature (10 to 300 K) and compositional ($0.11 \leq x \leq 0.79$) range, including the normal state, the magnetically ordered state, and the…
The nature of the "forbidden" local- and long-range polar order in nominally nonpolar paraelectric phases of ferroelectric materials has been an open question since the discovery of ferroelectricity in oxide perovskites (ABO3). A currently…
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…
We investigate displacive short-range order in pyrochlore Y2Nb2O7, which exhibits a nonmagnetic insulating state despite the presence of formally tetravalent Nb4+ (S = 1/2) ions on the pyrochlore network. Synchrotron x-ray diffraction on a…
Neutron scattering measurements on the pyrochlore magnet Ce$_2$Zr$_2$O$_7$ reveal an unusual crystal field splitting of its lowest $J$=5/2 multiplet, such that its ground state doublet is composed of m$_J$=$\pm$3/2, giving these doublets a…
The local structure of La2-xSrxCuO4, for 0 < x < 0.30, has been investigated using the atomic pair distribution function (PDF) analysis of neutron powder diffraction data. The local octahedral tilts are studied to look for evidence of [110]…
The structure of $\mathrm{Ge}_x\mathrm{Te}_{100-x}$ (x = 14.5, 18.7, 23.6) glasses prepared by twin roller quenching technique was investigated by neutron diffraction, X-ray diffraction and Ge-K-edge X-ray absorption spectroscopy…
In this paper we investigated the most important family of proton conducting oxides, i.e. cerates, by means of pair distribution function analysis (PDF) obtained from total neutron scattering data. The results clearly demonstrates that the…
An idealized high entropy oxide is characterized by perfect chemical disorder and perfect positional order. In this work, we investigate the extent to which short-range order (SRO) and local structural distortions impede that idealized…
Single crystal neutron diffraction is used to investigate the magnetic and structural phase diagram of the electron doped superconductor Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$. Heat capacity and resistivity measurements have demonstrated that Co…