Pressure-induced spin-state and phase transitions in the mono- LaCoO3 and multi-valent metastable La0.5Ba0.5CoO2.87 with one modified by pul
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https://doi.esrf.fr/10.15151/ESRF-ES-1117383033
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We suppose that accurate temperature dependent X-ray powder diffraction measurements in order to study unusual effect of crystal structure transformation of mono- LaCoO3 and multi-valent metastable La0.5Ba0.5CoO2.87 modified by pulsed magnetic field 20 Tesla. We expect to obtain reliable experimental data on the crystal structure, isotropic ADP for Co and O, as well as lattice parameters under applied pressure. Obtained X-ray diffraction results will be combined with pressure-dependent XMCD and neutron diffraction data as well as temperature-dependent XRD results at ID-22 and neutron diffraction (HRPT, PSI) in order to give us the opportunity to establish the correlations between crystal and magnetic structure changes and clarify the origin of magneto-structural phase transition near the PM→FM→AFM transitions, as well as to provide an input for a novel modeling methods based on the density functional theory (DFT, DFT+U, DFT+U+SO) and the dynamic mean-field theory (DFT+DMFT).
创建时间:
2026-01-01



