The hyperfine interaction between the quadrupole moment of atomic nuclei and the electric field gradient (EFG) provides information on the electronic charge distribution close to a given atomic site. In ferroelectric materials, the loss of inversion symmetry of the electronic charge distribution is necessary for the appearance of the electric polarization. We present first-principles density functional theory calculations of ferroelectrics such as BaTiO3, KNbO3, PbTiO3 and other oxides with perovskite structures, by focusing on both EFG tensors and polarization. We analyze the EFG tensor properties such as orientation and correlation between components and their relation with electric polarization. This work supports previous studies of ferroelectric materials where a relation between EFG tensors and polarization was observed, which may be exploited to study the ferroelectric order when standard techniques to measure polarization are not easily applied.
Solid state physics (SSP) research at ISOLDE has been running since the mid-1970s and accounts for about 10%–15% of the overall physics programme. ISOLDE is the world flagship for the on-line production of exotic radioactive isotopes, with high yields, high elemental selectivity and isotopic purity. Consequently, it hosts a panoply of state-of-the-art nuclear techniques which apply nuclear methods to research on life sciences, material science and bio-chemical physics. The ease of detecting radioactivity—<1 ppm concentrations—is one of the features which distinguishes the use of radioisotopes for materials science research. The manner in which nuclear momenta of excited nuclear states interact with their local electronic and magnetic environment, or how charged emitted particles interact with the crystalline lattices allow the determination of the location, its action and the role of the selected impurity element at the nanoscopic state. ISOLDE offers an unrivalled range of available radioactive elements and this is attracting an increasing user community in the field of nuclear SSP research and brings together a community of materials scientists and specialists in nuclear solid state techniques. This article describes the current status of this programme along with recent illustrative results, predicting a bright future for these unique research methods and collaborations.
We present an ultra sensitive method to quantify the uptake of Hg by dithiocarbamate functionalized magnetic nanoparticles using radioactive tracker spectroscopy. We show a lower limit of detection of about 10fg L −1 , much lower than any other known techniques used to determine the uptake of Hg (about 10 4 more sensitive), without the need of digesting or processing the sorption agent. Such high sensitivity enables the characterization of Functionalized Nanoparticles as Hg sorbents in natural waters, where the low Hg concentration is very difficult to detect using current analytical methods such as absorption/fluorometry methods (namely Cold Vapour Atomic Absorption/fluorescence Spectroscopy). Radioactive Trackers also give the ability to track the sorbed element, allowing the reconstruction of the path made by the sorbed element during the uptake process, unveiling further information about the impact of toxic metals in the environment and living beings.
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