99 citations · 99 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2022
Ge type-II clathrate as precursor for the synthesis of metastable germanium polymorphs: a computational study
Daniele Selli, Igor A. Baburin, Roman Martoňák +1
The response to compression of the clathrate type-II structure Ge(cF136) is investigated by means of \textit{ab initio} small-cell metadynamics at different temperatures and pressu…
cond-mat.mtrl-sci2012★ 99 cited
Superhard sp3 carbon allotropes with odd and even ring topologies
Daniele Selli, Igor A. Baburin, Roman Martoňák +1
Four sp3 carbon allotropes with six, eight, and 16 atoms per primitive cell have been derived using a combination of metadynamics simulations and topological scan. A chiral orthorh…