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Showing 2004 · cond-mat.mtrl-sciShow all
2 papers · 2 filters
cond-mat.mtrl-sci2004★ 1 cited
Simulation of structural phase transitions by metadynamics
R. Martonak, A. Laio, M. Bernasconi +3
We describe here in detail the recently introduced methodology for simulation of structural transitions in crystals. The applications of the new scheme are illustrated on various k…
cond-mat.mtrl-sci2004★ 5 cited
Dynamics of cubic-tetragonal phase transition in KNbO perovskite
S. N. Gvasaliya, B. Roessli, R. A. Cowley +3
The low-energy part of the vibration spectrum in KNbO was studied by cold neutron inelastic scattering in the cubic phase. In addition to acoustic phonons, we observe strong di…