1 citations · 4 across the 10 of their papers we have counts for
10 papers
Anharmonicity and Nonadiabaticity in Hydride Superconductors
Shashi B. Mishra, Francesco Belli, Eva Zurek +1
We study superconductivity in representative hydrides using anharmonic phonons, electron-phonon vertex corrections, and full-bandwidth Eliashberg theory. The high-pressure binary h…
Structural and Vibrational Properties of DSe from First Principles: Anharmonic Quantum and Isotope Effects
Wenjie Ma, Yao Ma, Mi Pan +2
Hydrogen-rich superconductors have garnered considerable interest following the discovery of hot superconductivity in high pressure HS, reviving prospects for room temperature…
Real-space understanding of electron-phonon coupling in superconducting hydrides
Trinidad Novoa, Francesco Belli, Raffaello Bianco +2
Electron-phonon coupling is at the origin of conventional superconductivity, enabling the pairing of electrons into Cooper pairs. The electron-phonon matrix elements depend on the…
Refining Tc Prediction in Hydrides via Symbolic-Regression-Enhanced Electron-Localization-Function-Based Descriptors
Francesco Belli, Sean Torres, Julia Contreras-Garcìa +1
Hydrogen-based materials are able to possess extremely high superconducting critical temperatures, \tc s, due to hydrogen's low atomic mass and strong electron-phonon interaction.…
A chemical bonding based descriptor for predicting the impact of quantum nuclear and anharmonic effects on hydrogen-based superconductors
Francesco Belli, Eva Zurek, Ion Errea
Quantum nuclear effects (QNEs) can significantly alter a material's crystal structure and phonon spectra, impacting properties such as thermal conductivity and superconductivity. H…
Quantum Anharmonic Effects on the Superconductivity of I-43m CH4-H3S at High Pressures: a First-Principles Study
Pugeng Hou, Francesco Belli, Tiange Bi +2
Making use of first-principles calculations we analyze the effect of quantum ionic fluctuations and lattice anharmonicity on the crystal structure and superconductivity of I-43m CH…
Efficient Modelling of Anharmonicity and Quantum Effects in PdCuH with Machine Learning Potentials
Francesco Belli, Eva Zurek
Quantum nuclear effects and anharmonicity impact a wide range of functional materials and their properties. One of the most powerful techniques to model these effects is the Stocha…
Quantum Stabilization and Flat Hydrogen-based Bands of Nitrogen-doped Lutetium Hydride
Adam Denchfield, Francesco Belli, Eva Zurek +2
We explore electronic and structural properties of Fmm Lu-H-N structures with specific N,H ordering as plausible candidates for near-ambient superconductivity possibl…
Phase Boundaries, Isotope Effect and Superconductivity of Lithium Under Hydrostatic Conditions
Stefano Racioppi, Iren Saffarian-Deemyad, William Holle +6
We present theoretical and experimental studies of superconductivity and low temperature structural phase boundaries in lithium. We mapped the structural phase diagram of 6Li and 7…
Superconductivity in CH4 and BH4- Containing Compounds Derived from the High-Pressure Superhydrides
Nisha Geng, Katerina P. Hilleke, Francesco Belli +2
Inspired by the synthesis of the high-pressure Fm-3m LaH10 superconducting superhydride, systematic density functional theory (DFT) calculations are performed to study ternaries th…