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cond-mat.mtrl-sci2018
Fingerprints of stacking order in graphene layers from ab initio second-order Raman spectra
Albin Hertrich, Caterina Cocchi, Pasquale Pavone +1
We present an \textit{ab initio} study based on density-functional theory of first- and second-order Raman spectra of graphene-based materials with different stacking arrangements…
cond-mat.mtrl-sci2003
Ab initio study of the beta$-tin->Imma->sh phase transitions in silicon and germanium
Katalin Gaal-Nagy, Pasquale Pavone, Dieter Strauch
We have investigated the structural sequence of the high-pressure phases of silicon and germanium. We have focussed on the cd->beta-tin->Imma->sh phase transitions. We have used th…