Related papers: Crystal structure and phonon softening in Ca3Ir4Sn…
Neutron and x-ray diffraction measurements are presented for powders and single crystals of CaCo{1.86}As2. The crystal structure is a collapsed-tetragonal ThCr2Si2-type structure as previously reported, but with 7(1)% vacancies on the Co…
The high-pressure behavior of silicon telluride (Si2Te3), a two-dimensional (2D) layered material, was investigated using synchrotron X-ray powder diffraction in a diamond anvil cell to 11.5 GPa coupled with first-principles theory. Si2Te3…
The Kondo lattice antiferromagnet YbNiSi3 was investigated by neutron scattering. The magnetic structure of YbNiSi3 was determined by neutron diffraction on a single-crystalline sample. Inelastic scattering experiments were also performed…
We present a systematic study of the crystal field interactions in the Li$R$F$_4$, $R$ = Gd, Ho, Er, Tm and Yb, family of rare-earth magnets. Using detailed inelastic neutron scattering measurements we have been able to quantify the…
We measured the thermal conductivity of an icosahedral quasicrystal i-Al_{72}Pd_{19.5}Mn_{8.5} in the temperature range between 0.4 K and 300 K. The analysis of the low-temperature results was based on a Debye-type model. The results of the…
High energy (67 keV) x-ray diffuse scattering measurements were performed on single crystals of Pb(Zn$_{1/3}$Nb$_{2/3}$)O$_3$-$x$PbTiO$_3$ (PZN-$x$PT). A novel technique was developed to map out the diffuse scattering distribution in all…
Classical thermal transport theories that preserve rotational symmetry, predict strong anharmonic scattering of out-of-plane lattice vibrational modes called flexural phonons in flat suspended graphene sheets. Such strong scattering…
By means of neutron inelastic scattering, magnetic excitations and phonons were measured for a single crystal of slightly overdoped superconductor Ca10Pt4As8(Fe1-xPtxAs)10 (x ~ 0.2) with the transition temperature Tc of ~33 K. Below Tc,…
In the ternary system Sr-Cu-Ge, a clathrate type-I phase, Sr8Cu5.3Ge40.7 (a = 1.06311(3), exists close to the Zintl limit in a small temperature interval. Sr8Cu5.3Ge40.7 decomposes eutectoidally on cooling at 730{\deg}C into (Ge), SrGe2 and…
Small-angle neutron and X-ray scattering, neutron backscattering and neutron time-of-flight spectroscopy are applied to reveal the structure of the ligand shell, the temperature-dependent diffusion properties and the phonon spectrum of PbS…
We report inelastic neutron scattering measurements over 7-1251 K in CaMnO3 covering various phase transitions, and over 6-150 K in PrMnO3 covering the magnetic transition. The excitations around 20 meV in CaMnO3 and at 17 meV in PrMnO3 are…
We report neutron inelastic scattering measurements of the lowest-energy transverse optic (TO) phonon branch in the relaxor Pb(Mg_1/3Nb_2/3)O_3 from 400 to 1100 K. Far above the Burns temperature T_d ~ 620 K we observe well-defined…
We have performed extensive ab initio calculations to investigate phonon dynamics and their possible role in superconductivity in BaFe2As2 and related systems. The calculations are compared to inelastic neutron scattering data that offer…
The dispersion of phonons in Ba1-xKxBiO3 along the (3+q, 0, 0) direction in reciprocal space was determined for x=0, 0.30, 0.37, 0.52 using high-resolution inelastic X-ray scattering. The observed phonon energies near \Gamma were in good…
Beta eucryptite (LiAlSiO4) shows one-dimensional super-ionic conductivity as well as anisotropic thermal expansion behavior. We have performed inelastic neutron scattering measurements in beta eucryptite over 300 to 900 K and calculated the…
The lattice dynamics of Cu3Au, Ni70Pt30, Pd90Fe10, and Pd96Fe04 intermetallic is studied using the DFT calculations. We calculated the phonon dispersions and phonon densities of states along two high symmetry paths of the Brillouin zone by…
Raman spectroscopy experiments on single crystals of CuSb2O6 and CoSb2O6 quasi-one-dimensional antiferromagnets with trirutile crystal structure were performed, with a focus on the first material. The observed Raman-active phonon modes and…
Monoclinic crystal structure of the undoped BaBiO3 can be described as a cubic perovskite distorted by a frozen breathing and tilting phonon modes of BiO6 octahedra. The phonon mode softening is experimentally observed [M. Braden et al.,…
Layered ruthenates are prototype materials with strong structure-property correlations. We report the structural and physical properties of double-layered perovskite Sr3(Ru1-xMnx)2O7 single crystals with 0<=x<=0.7. Single crystal x-ray…
We investigated the structural and dynamical properties of a tetrahedrally coordinated crystalline ice from first principles based on density functional theory within the generalized gradient approximation with the projected augmented wave…