Simultaneous measurement of pole figure and residual stress for polycrystalline thin films: ω–φ′ compensated grazing-incidence diffraction in side-inclination mode

A new grazing-incidence diffraction (GID) measurement geometry between in plane and out of plane is proposed. It is improved from the previous ω–φ compensated GID in side-inclination mode for measurement of residual stress in polycrystalline thin films [Wang & van Riessen (2017). Powder Diffr. 32, S9–S15]. Instead of keeping a constant azimuthal direction of the incident beam on the thin film sample, the current proposed variation maintains a constant azimuthal direction of the scattering vector projection on the thin film sample. The variation is named `ω–φ′ compensated GID in side-inclination mode' and enables d-spacing measurements along the same azimuthal direction. An Excel spreadsheet is included for readers to plan the measurement and to calculate the residual stress for the planned sample azimuthal direction. Anisotropic residual stresses of a polycrystalline NiFe thin film on an Si 001 substrate are measured by combining this method with phi rotations. Highly automated data analysis templates are developed using DIFFRAC.TOPAS v7 launch mode to calculate residual stress for all planned azimuthal directions sequentially. A pole figure file in simple text format is also generated from the same data set using DIFFRAC.TOPAS v7 launch mode, and can be directly imported into DIFFRAC.TEXTURE v4.1 for further texture analysis. Corrections for the incident-beam refraction have been implemented in both data analysis models.

Decoupling electron and phonon transport in single-nanowire hybrid materials for high-performance thermoelectrics

Organic-inorganic hybrids have recently emerged as a class of high-performing thermoelectric materials that are lightweight and mechanically flexible. However, the fundamental electrical and thermal transport in these materials has remained elusive due to the heterogeneity of bulk, polycrystalline, thin films reported thus far. Here, we systematically investigate a model hybrid comprising a single core/shell nanowire of Te-PEDOT:PSS. We show that as the nanowire diameter is reduced, the electrical conductivity increases and the thermal conductivity decreases, while the Seebeck coefficient remains nearly constant—this collectively results in a figure of merit, ZT, of 0.54 at 400 K. The origin of the decoupling of charge and heat transport lies in the fact that electrical transport occurs through the organic shell, while thermal transport is driven by the inorganic core. This study establishes design principles for high-performing thermoelectrics that leverage the unique interactions occurring at the interfaces of hybrid nanowires.

The Influence of Thickness on the Magnetic Properties of Nanocrystalline Thin Films: A Computational Approach

A study of the magnetic behaviour of polycrystalline thin films as a function of their thickness is presented in this work. The grain volume was kept approximately constant in the virtual samples. The model includes the exchange interaction, magneto-crystalline anisotropy, surface anisotropy, boundary grain anisotropy, dipolar interaction, and Zeeman effect. The thickness-dependence of the critical temperature, blocking temperature, and irreversibility temperature are presented. Surface anisotropy exerts a great influence at very low thicknesses, producing a monodomain regime. As the thickness increases, the dipolar interaction produces a coupling in-plane of single domains per grain which favours superparamagnetic states. At higher thicknesses, the effects of the in-plane anisotropy produced by dipolar interaction and surface anisotropy decrease dramatically. As a result, the superparamagnetic states present three-dimensional local anisotropies by the grain.

Transport mechanisms in Co-doped ZnO (ZCO) and H-irradiated ZCO polycrystalline thin films

Co doping increases the ZnO resistivity (ρ) at high T (HT), whereas it has an opposite effect at low T (LT). H balances the Co effects by neutralizing the ρ increase at HT and strengthening its decrease at LT.