High-pressure study of ScH<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>3</mml:mn></mml:msub></mml:math>: Raman, infrared, and visible absorption spectroscopy

Kume, Tetsuji; Ohura, Hiroyuki; Takeichi, T.; Ohmura, Ayako; Machida, Akihiko; Watanuki, Tetsu; Aoki, Katsutoshi; Sasaki, Shigeo; Shimizu, Hiroyasu; Takemura, Keiji

doi:10.1103/physrevb.84.064132

Cited by 25 publications

(24 citation statements)

References 29 publications

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“…With further compression, superconductivity should be suppressed as predicted. 33,47 However, our experimental result shows that ScH 3 exhibits superconductivity at high pressures. We compared the T c of ScH 3 and LuH 3 with those of metal Sc and Lu at selected pressures, as shown in Figure 3b.…”

Section: Resultsmentioning

confidence: 58%

“…Based on previous calculations, the recorded value of T c for ScH 3 can reach 18 K at ∼19 GPa and decrease exponentially in the pressure range of 19–30 GPa. With further compression, superconductivity should be suppressed as predicted. , However, our experimental result shows that ScH 3 exhibits superconductivity at high pressures. We compared the T c of ScH 3 and LuH 3 with those of metal Sc and Lu at selected pressures, as shown in Figure b.…”

Section: Resultsmentioning

confidence: 99%

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Superconducting ScH₃ and LuH₃ at Megabar Pressures

Shao

Chen

et al. 2021

Inorg. Chem.

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Rare-earth (RE) superhydrides have great potential as high-temperature superconductors, with recent discoveries almost achieving room-temperature superconductivity in compressed LaH10 and YH9. Here, we continue to study the rare-earth hydrides by focusing on the new hydrides that the lightest element Sc and the heaviest element Lu formed under pressure. Two new superconducting hydrides ScH3 (T c ∼ 18.5 K at 131 GPa) and LuH3 (T c ∼ 12.4 K at 122 GPa) have been identified both with cubic structure by combining X-ray diffraction and electrical resistance techniques. Among all of the REH3, only the superconducting properties of ScH3 and LuH3 have been experimentally confirmed. Our current results may offer guidance to other REH3, which were predicted to be superconductors but have not been experimentally confirmed.

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Section: Resultsmentioning

confidence: 58%

Section: Resultsmentioning

confidence: 99%

Superconducting ScH₃ and LuH₃ at Megabar Pressures

Shao

Chen

et al. 2021

Inorg. Chem.

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“…It also appears to be sluggish with an intermediate state spanning the range from 8 to 20 GPa according to XRD data 14 , 19 , 20 . The Raman signal that is observed above 20 GPa 21 , 22 contradicts the centrosymmetric structure observed by XRD and predicted in the calculations 16 . Similarly, for the hcp structure the Raman measurements at ambient pressure 23 exclude the existence of a centrosymmetric structure reported from neutron diffraction studies 24 , 25 .…”

Section: Introductioncontrasting

confidence: 51%

Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa

et al. 2021

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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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“…Hence, orbitals that are empty in the free atom can be occupied at high pressures. This effect has been experimentally detected [26][27][28]. An excellent review of these effects has the nice title "The Chemical Imagination at Work in very Tight Places" [29].…”

Section: Confinementmentioning

confidence: 94%

Electronegativity under Confinement

2021

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The electronegativity concept was first formulated by Pauling in the first half of the 20th century to explain quantitatively the properties of chemical bonds between different types of atoms. Today, it is widely known that, in high-pressure regimes, the reactivity properties of atoms can change, and, thus, the bond patterns in molecules and solids are affected. In this work, we studied the effects of high pressure modeled by a confining potential on different definitions of electronegativity and, additionally, tested the accuracy of first-order perturbation theory in the context of density functional theory for confined atoms of the second row at the Hartree–Fock level. As expected, the electronegativity of atoms at high confinement is very different than that of their free counterparts since it depends on the electronic configuration of the atom, and, thus, its periodicity is modified at higher pressures.

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High-pressure study of ScH3: Raman, infrared, and visible absorption spectroscopy

Cited by 25 publications

References 29 publications

Superconducting ScH₃ and LuH₃ at Megabar Pressures

Superconducting ScH₃ and LuH₃ at Megabar Pressures

Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa

Electronegativity under Confinement

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High-pressure study of ScH3: Raman, infrared, and visible absorption spectroscopy

Cited by 25 publications

References 29 publications

Superconducting ScH3 and LuH3 at Megabar Pressures

Superconducting ScH3 and LuH3 at Megabar Pressures

Local electronic structure rearrangements and strong anharmonicity in YH3 under pressures up to 180 GPa

Electronegativity under Confinement

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Superconducting ScH₃ and LuH₃ at Megabar Pressures

Superconducting ScH₃ and LuH₃ at Megabar Pressures