Automating Analysis of Neutron Scattering Time-of-Flight Single Crystal Phonon Data

铌酸锂单晶薄膜晶格工程中的电子-声子耦合

Electron-phonon coupling in lattice engineering of lithium niobate single crystal thin films

该研究提出基于铌酸锂晶体结构并利用外场调控电子-声子耦合的量子设计方法，结合多尺度表征与理论计算揭示缺陷及耦合机制，为低损耗、可重构的大规模LN量子器件提供设计框架。

Inelastic neutron scattering and lattice dynamical calculations in BaFe2As2

We report here first extensive measurements of the temperature dependence of phonon density of states of BaFe2As2, the parent compound of the newly discovered FeAs-based superconductors, using inelastic neutron scattering. The experiments were carried out on the thermal time-of-flight neutron spectrometer IN4 at the ILL on a polycrystalline sample. There is no appreciable change in the spectra between T = 10 K and 200 K, although the sample undergoes a magnetic as well as a tetragonal-to-orthorhombic structural phase transition at 140 K. This indicates a rather harmonic phonon system. Shell mo…

Density of states in solid deuterium: Inelastic neutron scattering study

The dynamics of solid deuterium (sD2) is studied by means of inelastic scattering (coherent and incoherent) of thermal and cold neutrons at different temperatures and para-ortho ratios. In this paper, the results for the generalized density of states (GDOS) are presented and discussed. The measurements were performed at the thermal neutron time-of-flight (TOF) instrument IN4 at ILL Grenoble and at the cold neutron TOF instrument TOFTOF at FRM II Garching. The GDOS comprises besides the hcp phonon excitations of the sD2 the rotational transitions J = 0 ->1 and J = 1 -> 2. The intensities of the…

Lattice dynamical origin of peak thermoelectric performance in AgPbmSbTe2+m observed by inelastic neutron scattering

Phonon densities of states (DOS) for the high performing thermoelectric material, AgPbmSbTe2+m (LAST-m, m = 16, 18, and 20), were extracted from time-of-flight inelastic neutron scattering measurements. The phonon DOS of LAST-18 differs remarkably from LAST-16 and LAST-20 by exhibiting a dramatic broadening of its acoustic modes that increases on heating. This broadening coincides with a minimum in the thermal conductivity, a maximum in the electrical conductivity and Seebeck coefficient, and a related peak in thermoelectric performance. We argue that the anomalous broadening originates with s…

Einstein Modes in the Phonon Density of States of the Single-Filled Skutterudite Yb$_{0.2}$Co$_{4}$Sb$_{12}$

Measurements of the phonon density of states by inelastic neutron \emph{time-of-flight} scattering and specific heat measurements along with first principles calculations, provide compelling evidence for the existence of an Einstein oscillator ("\emph{rattler}") at $ω_{E1} \approx$ 5.0 meV in the filled skutterudite Yb$_{0.2}$Co$_{4}$Sb$_{12}$. Multiple dispersionless modes in the measured density of states of Yb$_{0.2}$Co$_{4}$Sb$_{12}$ at intermediate transfer energies (14 meV $\leq$ \emph{$ω$} $\leq$ 20 meV) are exhibited in both the experimental and theoretical \emph{density-of-states} of …

Neutron scattering by ultrasound in mosaic single crystals

The Time-of-Flight and Neutron-Spin-Echo techniques have been applied for the research of ultrasonic effect at the cold neutron diffraction in mosaic single crystals (KBr and mica). It was found that h.f. ultrasound intensifies quasi-elastic neutron scattering and this effect cannot be explained as a result of neutron scattering by thermal phonons in a sample heated by ultrasound; neither can it be interpreted in the context of standard secondary extinction theory. A new modified model is proposed based on the assumption that the angular distribution function describing mosaic block disorienta…

A Neutron Scattering Perspective on the Structure, Softness and Dynamics of the Ligand Shell of PbS Nanocrystals in Solution

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 nanocrystals functionalized with oleic acid in deuterated hexane. The nanocrystals decorated with oleic acid as well as the desorbed ligand molecules exhibit simple Brownian diffusion with a Stokes-Einstein temperature-dependence and inhibited freezing. Ligand molecules desorbed from the surface show strong spatial confinement. The phonon spectrum of oleic a…

Combined He-atom scattering and theoretical study of the low energy vibrations of physisorbed monolayers of Xe on Cu(111) and Cu(001)

The surface phonon dispersion curves of commensurate Xe monolayers on Cu(111) and incommensurate Xe monolayers on Cu(001) surfaces have been measured using He atom scattering (HAS) time of flight (TOF) spectroscopy. The TOF spectra are interpreted by combining quantum scattering calculations with the dynamical matrix description of the surface vibrations. Both a vertically polarized Einstein-like mode and another, acoustic-like mode of dominantly longitudinal character, are identified. The latter mode is characterized by the presence and absence of the zone center frequency gap in the commensu…