18.8k citations · 40.6k across the 108 of their papers we have counts for
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cond-mat.mtrl-sci2007★ 406 cited
Coexistence of tetrahedral and octahedral-like sites in amorphous phase change materials
S. Caravati, M. Bernasconi, T. D. Kuehne +2
Chalcogenide alloys are materials of interest for optical recording and non-volatile memories. We perform ab-initio molecular dynamics simulations aiming at shading light onto the…
cond-mat.mtrl-sci2007★ 22 cited
Water on Pt(111): the importance of proton disorder
Luigi Delle Site, Luca M. Ghiringhelli, Oliviero Andreussi +2
The structure of a water adlayer on Pt(111) surface is investigated by extensive first principle calculations. Only allowing for proton disorder the ground state energy can be foun…