Superconductivity of 
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 and 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>LaH</mml:mi><mml:mn>16</mml:mn></mml:msub></mml:math>
 polyhydrides

Kruglov, Ivan A.; Semenok, Dmitrii V.; Song, Hao; Szczȩśniak, R.; Wrona, I. A.; Akashi, Ryosuke; Esfahani, M. Mahdi Davari; Duan, Defang; Cui, Tian; Kvashnin, Alexander G.; Oganov, Artem R.

doi:10.1103/physrevb.101.024508

Cited by 82 publications

(61 citation statements)

References 56 publications

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“…[ 37,43 ] This value is about 100 K lower than the one found using the ME calculations and 64 K (≈28%) below the experimental value (224 K). A similar discrepancy has been reported in LaH 10 [ 44 ] and within ab initio Eliashberg theory, [ 45 ] but in those cases the difference was ≈20–30 K. Apart from this, the 64 K underestimation still indicates anomalously large impact of the Coulomb repulsion and implies something beyond the conventional phonon‐mediated superconductivity that boosts the critical temperature up to the experimentally observed value.…”

Section: Figuresupporting

confidence: 76%

Anomalous High‐Temperature Superconductivity in YH₆

et al. 2021

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Pressure‐stabilized hydrides are a new rapidly growing class of high‐temperature superconductors, which is believed to be described within the conventional phonon‐mediated mechanism of coupling. Here, the synthesis of one of the best‐known high‐TC superconductors—yttrium hexahydride Im3¯m‐YH6 is reported, which displays a superconducting transition at ≈224 K at 166 GPa. The extrapolated upper critical magnetic field Bc2(0) of YH6 is surprisingly high: 116–158 T, which is 2–2.5 times larger than the calculated value. A pronounced shift of TC in yttrium deuteride YD6 with the isotope coefficient 0.4 supports the phonon‐assisted superconductivity. Current–voltage measurements show that the critical current IC and its density JC may exceed 1.75 A and 3500 A mm−2 at 4 K, respectively, which is higher than that of the commercial superconductors, such as NbTi and YBCO. The results of superconducting density functional theory (SCDFT) and anharmonic calculations, together with anomalously high critical magnetic field, suggest notable departures of the superconducting properties from the conventional Migdal–Eliashberg and Bardeen–Cooper–Schrieffer theories, and presence of an additional mechanism of superconductivity.

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Section: Figuresupporting

confidence: 76%

Anomalous High‐Temperature Superconductivity in YH₆

et al. 2021

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“…The results of these experiments confirm that the comparative stability of superhydrides increases with the increase of the period number of a hydride-forming element in the periodic table 20 . Our work opens prospects for the synthesis of even more hydrogen rich compounds like predicted LaH 16 34 and ErH 15 20 , and new ternary high-T C polyhydrides in such systems as Ba-Y-H and Ba-La-H.…”

Section: Synthesis Ofmentioning

confidence: 93%

Synthesis of molecular metallic barium superhydride: pseudocubic BaH12

et al. 2021

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Following the discovery of high-temperature superconductivity in the La–H system, we studied the formation of new chemical compounds in the barium-hydrogen system at pressures from 75 to 173 GPa. Using in situ generation of hydrogen from NH3BH3, we synthesized previously unknown superhydride BaH12 with a pseudocubic (fcc) Ba sublattice in four independent experiments. Density functional theory calculations indicate close agreement between the theoretical and experimental equations of state. In addition, we identified previously known P6/mmm-BaH2 and possibly BaH10 and BaH6 as impurities in the samples. Ab initio calculations show that newly discovered semimetallic BaH12 contains H2 and H3– molecular units and detached H12 chains which are formed as a result of a Peierls-type distortion of the cubic cage structure. Barium dodecahydride is a unique molecular hydride with metallic conductivity that demonstrates the superconducting transition around 20 K at 140 GPa.

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“…As shown in Figure 1c, the calculated band structure of LaH 10 exhibits metallic character due to the several bands crossing the Fermi level, consistent with the previous theoretical results. [ 57–59 ] Remarkably, the electronic DOS exhibits van Hove singularities near the Fermi level, giving rise to a high value of

N (ε_{normalF})

= 0.8629 st eV −1 , which in turn leads to a large EPC constant.…”

Section: Resultsmentioning

confidence: 99%

Evidence of Phonon‐Mediated Superconductivity in LaH₁₀ at High Pressure

Durajski

Wang

et al. 2020

Annalen der Physik

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Motivated by the recent experimental discovery of the high‐critical‐temperature superconductor LaH10 (250–260 K at high pressures 170–190 GPa), the influence of H isotope substitution on the phonon spectra, electron–phonon interactions, and thermodynamic properties of superconducting LaH10−xDx (x=0,2,5,8,10) at 250 GPa are studied. On the basis of first‐principles calculations, it is found that all investigated systems are dynamically stable in a clathrate structure with space group Fm3¯m and exhibit high superconducting critical temperatures Tc ranging from 169 to 234 K. The dominant role of hydrogen in enhancing Tc is examined by numerically solving the Eliashberg equations. The estimated critical temperature, superconducting energy gap, specific heat, and thermodynamic critical field demonstrate that the underlying mechanism of superconductivity in lanthanum hydride is conventional electron–phonon coupling, which manifests itself in terms of isotope effect.

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Superconductivity of LaH10 and LaH16 polyhydrides

Cited by 82 publications

References 56 publications

Anomalous High‐Temperature Superconductivity in YH₆

Anomalous High‐Temperature Superconductivity in YH₆

Synthesis of molecular metallic barium superhydride: pseudocubic BaH12

Evidence of Phonon‐Mediated Superconductivity in LaH₁₀ at High Pressure

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Superconductivity of LaH10 and LaH16 polyhydrides

Cited by 82 publications

References 56 publications

Anomalous High‐Temperature Superconductivity in YH6

Anomalous High‐Temperature Superconductivity in YH6

Synthesis of molecular metallic barium superhydride: pseudocubic BaH12

Evidence of Phonon‐Mediated Superconductivity in LaH10 at High Pressure

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Anomalous High‐Temperature Superconductivity in YH₆

Anomalous High‐Temperature Superconductivity in YH₆

Evidence of Phonon‐Mediated Superconductivity in LaH₁₀ at High Pressure