32 citations · 85 across the 5 of their papers we have counts for
5 papers
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…
Structural Diversity and Superconductivity in S-P-H Ternary Hydrides Under Pressure
Nisha Geng, Tiange Bi, Eva Zurek
Evolutionary structure searches revealed a plethora of stable and low-enthalpy metastable phases in the S-P-H ternary phase diagram under pressure. A wide variety of crystalline st…
Materials under high pressure: A chemical perspective
Katerina P. Hilleke, Tiange Bi, Eva Zurek
At high pressure, the typical behavior of elements dictated by the periodic table - including oxidation numbers, stoichiometries in compounds, and reactivity, to name but a few - i…
Nature of the bonded-to-atomic transition in liquid silica to TPa pressures
Shuai Zhang, Miguel A. Morales, Raymond Jeanloz +3
First-principles calculations and analysis of the thermodynamic, structural, and electronic properties of liquid SiO characterize the bonded-to-atomic transition at 0.1--1.6 TP…