Zobrazeno 1 - 10
of 70
pro vyhledávání: '"Migoni, R. L."'
Interface effects on the ferroelectric behavior of PbTiO$_3$ ultrathin films deposited on SrTiO$_3$ substrate are investigated using an interatomic potential approach with parameters fitted to first-principles calculations. We find that the correlati
Externí odkaz:
http://arxiv.org/abs/cond-mat/0601123
Surface and ferroelectric properties of PbTiO$_3$ thin films are investigated using an interatomic potential approach with parameters computed from first-principles calculations. We show that a model developed for the bulk describes properly the surf
Externí odkaz:
http://arxiv.org/abs/cond-mat/0503524
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 deuteration. Cluster tunneling involving also heavy ions is allowed, the main
Externí odkaz:
http://arxiv.org/abs/cond-mat/0206029
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 of the protons is accompanied by an electronic charge delocalization f
Externí odkaz:
http://arxiv.org/abs/cond-mat/0008340
Autor:
Koval, S., Burriel, R., Stachiotti, M. G., Castro, M., Migoni, R. L., Moreno, M. S., Varela, A., Rodriguez, C. O.
An ab-initio Linear Augmented Plane-Wave (LAPW) calculation of the zone-centered phonon frequencies of SnO has been performed. E$_g$ symmetry has been ascribed to the mode observed at 113 cm$^{-1}$ in Raman measurements, discarding a previous B$_{1g}
Externí odkaz:
http://arxiv.org/abs/cond-mat/9911206
The question on the dominant driving mechanism (displacive or order-disorder) at each structural phase transition of KNbO3 is investigated by means of molecular dynamics simulations. To this purpose, we first develop a shell model by determining its
Externí odkaz:
http://arxiv.org/abs/cond-mat/9812407
Publikováno v:
Journal of Chemical Physics; 8/28/2011, Vol. 135 Issue 8, p084504, 8p
Publikováno v:
Journal of Applied Physics; 3/1/2002, Vol. 91 Issue 5, p3165, 7p, 8 Graphs
Publikováno v:
Journal of Applied Physics; 11/1/2001, Vol. 90 Issue 9, p4509, 11p, 3 Diagrams, 1 Chart, 13 Graphs
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