INTEC   05402
INSTITUTO DE DESARROLLO TECNOLOGICO PARA LA INDUSTRIA QUIMICA
Unidad Ejecutora - UE
artículos
Título:
Effect of nearest neighbor Pb-O divacancy pairs on the ferroelectric-relaxor transition in Pb(Sc1/2Nb1/2)O3
Autor/es:
B. P. BURTON, E. COCKAYNE, S. TINTE, U. V. WAGHMARE
Revista:
PHYSICAL REVIEW B
Editorial:
AMERICAN PHYSICAL SOCIETY
Referencias:
Lugar: Maryland, USA; Año: 2008 vol. 77 p. 144114 - 144114
ISSN:
1098-0121
Resumen:
Molecular dynamics simulations were performed on a first-principles-based effective Hamiltonian for
Pb(Sc1/2Nb1/2)O3 (PSN) with nearest neighbor Pb-O divacancy pairs. Simulations were performed for PSN
with ideal chemical order, chemical short-range order, and random chemical disorder. Divacancy concentration
vs temperature, X[Pb-O] vs T, phase diagrams were calculated, and they are shown to be topologically equivalent
to the previously calculated hydrostatic pressure vs temperature diagram. In PSN with ideal chemical order, the
Burns temperature defines an isotherm, which is analogous to the “Griffiths phase” in the magnetic dilution
problem.