39 citations · 80 across the 3 of their papers we have counts for
4 papers
\textit{Ab initio} molecular dynamics study of the structural and electronic transition in VO
Dušan Plašienka, Roman Martoňák, Marcus C. Newton
The temperature-induced structural and electronic transformation in VO between the monoclinic M1 and tetragonal rutile phases was studied by means of \textit{ab initio} molecul…
Creating new layered structures at high pressures: SiS
Dušan Plašienka, Roman Martoňák, Erio Tosatti
Old and novel layered structures are attracting increasing attention for their physical, electronic, and frictional properties. SiS, isoelectronic to SiO, CO and CS…
Structural transformation between long and short-chain form of liquid sulfur from \textit{ab initio} molecular dynamics
Dušan Plašienka, Peter Cifra, Roman Martoňák
We present results of \textit{ab initio} molecular dynamics study of a structural transformation occurring in hot liquid sulfur under high pressure, which corresponds to the chain-…
Transformation pathways in high-pressure solid nitrogen: from molecular N to polymeric cg-N
Dusan Plašienka, Roman Martoňák
The transformation pathway in high-pressure solid nitrogen from N molecular state to polymeric cg-N phase was investigated by means of \textit{ab initio} molecular dynamics and…