Browsing Artículos by Author "Belli, Francesco"
Now showing items 1-5 of 5
-
Impact of ionic quantum fluctuations on the thermodynamic stability and superconductivity of LaBH8
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 ... -
Quantum anharmonic enhancement of superconductivity in P63/mmc ScH6 at high pressures: A first-principles study
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
Errea Lope, Ion ; Belli, Francesco; Monacelli, Lorenzo; Sanna, Antonio; Koretsune, Takashi; Tadano, Terumasa; Bianco, Raffaello; Calandra, Matteo; Arita, Ryotaro; Mauri, Francesco; Flores-Livas, Jose A. (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 ... -
Strong anharmonic and quantum effects in Pm-3n AlH3 under high pressure: A first-principles study
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 ... -
Strong correlation between electronic bonding network and critical temperature in hydrogen-based superconductors
Belli, Francesco; Novoa, Trinidad; Contreras García, Julia; Errea Lope, Ion (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 ...