263 research outputs found

    Nanoscale clusters in the high performance thermoelectric AgPbmSbTem+2

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    The local structure of the AgPbmSbTem+2 series of thermoelectric materials has been studied using the atomic pair distribution function (PDF) method. Three candidate-models were attempted for the structure of this class of materials using either a one-phase or a two-phase modeling procedure. Combining modeling the PDF with HRTEM data we show that AgPbmSbTem+2 contains nanoscale inclusions with composition close to AgPb3SbTe5 randomly embedded in a PbTe matrix.Comment: 7 pages, 5 figures, 2 tables, submitted to PR

    Nanoscale alpha-structural domains in the phonon-glass thermoelectric material beta-Zn4Sb3

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    A study of the local atomic structure of the promising thermoelectric material beta-Zn4Sb3, using atomic pair distribution function (PDF) analysis of x-ray- and neutron-diffraction data, suggests that the material is nanostructured. The local structure of the beta phase closely resembles that of the low-temperature alpha phase. The alpha structure contains ordered zinc interstitial atoms which are not long range ordered in the beta phase. A rough estimate of the domain size from a visual inspection of the PDF is <~10 nm. It is probable that the nanoscale domains found in this study play an important role in the exceptionally low thermal conductivity of beta-Zn4Sb3

    Unconventional order-disorder phase transition in improper ferroelectric hexagonal manganites

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    The improper ferroelectricity in YMnO3_3 and other related multiferroic hexagonal manganites are known to cause topologically protected ferroelectric domains that give rise to rich and diverse physical phenomena. The local structure and structural coherence across the ferroelectric transition, however, were previously not well understood. Here we reveal the evolution of the local structure with temperature in YMnO3_3 using neutron total scattering techniques, and interpret them with the help of first-principles calculations. The results show that, at room temperature, the local and average structures are consistent with the established ferroelectric P63cmP6_3cm symmetry. On heating, both local and average structural analyses show striking anomalies from ∼800\sim 800 K up to the Curie temperature consistent with increasing fluctuations of the order parameter angle. These fluctuations result in an unusual local symmetry lowering into a \textit{continuum of structures} on heating. This local symmetry breaking persists into the high-symmetry non-polar phase, constituting an unconventional type of order-disorder transition.Comment: 10 pages, 5 figure

    Neutron diffraction evidence of microscopic charge inhomogeneities in the CuO2 plane of superconducting La2-xSrxCuO4 (0 < x <0.30)

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    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 over the range of doping 0 < x < 0.30 at 10 K. Despite the average structure getting less orthorhombic we see a broadening of the in-plane Cu-O bond distribution as a function of doping up to optimal doping. Thereafter the peak abruptly sharpens. Complementary evidence is also evident from the observation of octahedral tilt disorder in the PDF at higher atomic separation. This suggests a crossover from a charge inhomogeneous state at and below optimal doping to a homogeneous charge state above optimal doping. The strong response of the local structure to the charge-state implies a strong electron-lattice coupling in these materials.Comment: 4 pages, 3 figures, submitted to Physical Review Letters (27-th of June 1999) resubmitted to Phys. Rev. Lett. (8th of March 2000

    Local atomic structure and discommensurations in the charge density wave of CeTe3

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    The local structure of CeTe3 in the incommensurate charge density wave (IC-CDW) state has been obtained using atomic pair distribution function (PDF) analysis of x-ray diffraction data. Local atomic distortions in the Te-nets due to the CDW are larger than observed crystallographically, resulting in distinct short and long Te-Te bonds. Observation of different distortion amplitudes in the local and average structures are explained by the discommensurated nature of the CDW since the PDF is sensitive to the local displacements within the commensurate regions whereas the crystallographic result averages over many discommensurated domains. The result is supported by STM data. This is the first quantitative local structural study within the commensurate domains in an IC-CDW system.Comment: 4 pages, 4 figure
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