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- Purans, J., et al.
(författare)
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Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa
- 2021
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Ingår i: Nature Communications. - : Springer Science and Business Media LLC. - 2041-1723. ; 12:1
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Tidskriftsartikel (refereegranskat)abstract
- The discovery of superconductivity above 250 K at high pressure in LaH10 and the prediction of overcoming the room temperature threshold for superconductivity in YH10 urge for a better understanding of hydrogen interaction mechanisms with the heavy atom sublattice in metal hydrides under high pressure at the atomic scale. Here we use locally sensitive X-ray absorption fine structure spectroscopy (XAFS) to get insight into the nature of phase transitions and the rearrangements of local electronic and crystal structure in archetypal metal hydride YH3 under pressure up to 180 GPa. The combination of the experimental methods allowed us to implement a multiscale length study of YH3: XAFS (short-range), Raman scattering (medium-range) and XRD (long-range). XANES data evidence a strong effect of hydrogen on the density of 4d yttrium states that increases with pressure and EXAFS data evidence a strong anharmonicity, manifested as yttrium atom vibrations in a double-well potential.
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| 6. |
- Torchio, R., et al.
(författare)
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Structure and magnetism of cobalt at high pressure and low temperature
- 2016
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Ingår i: PHYSICAL REVIEW B. - 2469-9950. ; 94:2
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Tidskriftsartikel (refereegranskat)abstract
- The magnetic and structural properties of cobalt were investigated under high pressure (160 GPa) and low temperature (50 K), by synchrotron K-edge x-ray magnetic circular dichroism and x-ray diffraction. A quasihydrostatic equation of state was measured up to 160 GPa. We found that uniaxial stress plays a role in the hexagonal close packed-face centered cubic (hcp-fcc) structural transition pressure. Also, our data provide the first experimental evidence that changes of the c/a ratio pressure derivative are related to the magnetic behavior. The complete extinction of ferromagnetism is observed above 130 GPa in a mixed hcp-fcc phase with no recovery upon cooling to 50 K, indicating that cobalt at 150 GPa is very likely nonmagnetic, i.e., characterized by zero local spin polarization. Density functional theory calculations point out that the K-edge x-ray magnetic circular dichroism (XMCD) signal is related to the 4p orbital moment rather than to the total spin moment and allow us to get a deeper insight into the K-edge XMCD measurements interpretation. The combination of novel theoretical results and experimental outputs provides a detailed scenario of the structural and magnetic properties of cobalt at these extreme conditions answering some previously unsolved issues.
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| 10. |
- Kantor, I, et al.
(författare)
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Short-range order and Fe clustering in Mg1-xFexO under high pressure
- 2009
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 80:1, s. 014204-
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Tidskriftsartikel (refereegranskat)abstract
- By combining high-pressure and high-temperature Moumlssbauer spectroscopic studies of (Mg,Fe)O with results of ab initio simulations, several important properties of this material were established. Under high pressure (Mg,Fe)O shows changes in the short-range order with the tendency to form iron clusters. These changes were found to be irreversible, implying sluggish kinetics of these processes at ambient conditions. The pressure-induced spin crossover is interpreted here as a gradual noncooperative transition. The onset and width of spin crossover depends, therefore, not only on pressure, temperature, and composition, but also on short-range order in the FeO-MgO solid solution.
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