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Quantum anharmonic enhancement of superconductivity in P63/mmc ScH6 at high pressures: A first-principles study
(AIP Publishing, 2021-11-05)
Making use of first-principles calculations, we analyze the effect of quantum ionic fluctuations and lattice anharmonicity on the crystal structure and superconductivity of P63/mmc ScH6 in the 100–160 GPa pressure range ...
Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride
(Springer Nature, 2020-02-05)
The discovery of superconductivity at 200 kelvin in the hydrogen sulfide system at high pressures demonstrated the potential of hydrogen-rich materials as high-temperature superconductors. Recent theoretical predictions ...
Impact of ionic quantum fluctuations on the thermodynamic stability and superconductivity of LaBH8
(APS, 2022-10-19)
The recent prediction of a metastable high-symmetry Fm-3m phase of LaBH8 gives hopes to reach high superconducting critical temperatures at affordable pressures among ternary hydrogen-rich compounds. Making use of ...
Strong correlation between electronic bonding network and critical temperature in hydrogen-based superconductors
(Nature Research, 2021-09-16)
By analyzing structural and electronic properties of more than a hundred predicted hydrogen-based superconductors, we determine that the capacity of creating an electronic bonding network between localized units is key to ...
Strong anharmonic and quantum effects in Pm-3n AlH3 under high pressure: A first-principles study
(APS, 2021-04-29)
Motivated by the absence of experimental superconductivity in the metallic Pm-3n phase of
AlH3 despite the predictions, we reanalyze its vibrational and superconducting properties at pressures
P≥99 GPa making use of ...