152 citations · 351 across the 5 of their papers we have counts for
5 papers
Interface effects in ferroelectric PbTiO ultrathin films on a paraelectric substrate
M Sepliarsky, M. G. Stachiotti, R. L. Migoni
Interface effects on the ferroelectric behavior of PbTiO ultrathin films deposited on SrTiO substrate are investigated using an interatomic potential approach with paramete…
First-principles study of ferroelectricity and isotope effects in H-bonded KDP crystals
S. Koval, J. Kohanoff, J. A. Lasave +2
By means of extensive first-principles calculations we studied the ferroelectric phase transition and the associated isotope effect in KH2PO4 (KDP)
Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals
S. Koval, J. Kohanoff, R. L. Migoni +1
Based on an accurate first principles description of the energetics in H-bonded KDP, we conduct a first study of nuclear quantum effects and of the changes brought about by deutera…
Interplay between proton ordering and ferroelectric polarization in H-bonded KDP-type crystals
S. Koval, J. Kohanoff, R. L. Migoni +1
The origin of ferroelectricity in KH_2PO_4 (KDP) is studied by first-principles electronic structure calculations. In the low-temperature phase, the collective off-center ordering…
LAPW frozen-phonon calculation, shell model lattice dynamics and specific-heat measurement of SnO
S. Koval, R. Burriel, M. G. Stachiotti +5
An ab-initio Linear Augmented Plane-Wave (LAPW) calculation of the zone-centered phonon frequencies of SnO has been performed. E symmetry has been ascribed to the mode observed…