30 citations · 33 across the 8 of their papers we have counts for
8 papers
Metastability and high-Tc superconductivity in A15-type ternary hydride YSbH6 at moderate pressure
Maélie Caussé, Kieran Bozier, Peter I. C. Cooke +2
The discovery of high-temperature superconductors remains a central challenge in materials science. Hydrogen-rich compounds are among the most promising candidates, as they can exh…
Novel Transformations of PbTiO3 with Pressure and Temperature
Husam Farraj, Stefano Racioppi, Gaston Garbarino +8
We investigated the behavior of lead titanate (PbTiO3) up to 100 GPa, both at room temperature and upon laser heating, using synchrotron X ray diffraction combined with density fun…
-Quantum Effects or Theoretical Artifacts? A Computational Reanalysis of Hydrogen's High-Pressure Phase Stability and Properties
Stefano Racioppi, Eva Zurek
Experimental and theoretical studies of the high-pressure phases of hydrogen are highly sensitive to methodological choices. We compare the cold phase diagram of hydrogen calculate…
Using Topology to Predict Electrides in the Solid State
Stefano Racioppi, Eva Zurek
Electrides are characterized by electron density highly localized in interstitial sites, which do not coincide with the interatomic contacts. The rigorous quantum mechanical defini…
Powder X-Ray Diffraction Assisted Evolutionary Algorithm for Crystal Structure Prediction
Stefano Racioppi, Alberto Otero De la Roza, Samad Hajinazar +1
Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. He…
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…
On the Electride Nature of Na-hP4
Stefano Racioppi, Christian V. Storm, Malcolm I. McMahon +1
Early quantum mechanical models suggested that pressure drives solids towards free-electron metal behavior where the ions are locked into simple close-packed structures. The predic…
Intercalating Helium into A-site Vacant Perovskites
Stefano Racioppi, Maosheng Miao, Eva Zurek
Evolutionary searches were employed to predict the most stable structures of perovskites with helium atoms on their A-sites up to pressures of 10 GPa. The thermodynamics associated…