Composition modulation away from the polar direction in Pb(Sc,Nb)O-3 alloys - art. no. 060102

Authors
George, AM Bellaiche, L
Citation
Am. George et L. Bellaiche, Composition modulation away from the polar direction in Pb(Sc,Nb)O-3 alloys - art. no. 060102, PHYS REV B, 6406(6), 2001, pp. 0102
Citations number
21
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
6406
Issue
6
Year of publication
2001
Database
ISI
SICI code
0163-1829(20010801)6406:6<0102:CMAFTP>2.0.ZU;2-A
Abstract
A first-principles-derived approach is used to study properties of Pb(Sc,Nb )O-3 alloys that are compositionally modulated along the [001] pseudocubic direction. The direction of the local electrical polarizations is found to be spatially-dependent, and can be adjusted with the modulation parameters. Furthermore, modulated structures with large composition gradients adopt a monoclinic phase-in which the total electrical polarization lies between t he [111] and [110] directions-for their ferroelectric ground state, and exh ibit large electromechanical responses.