INTEC 05402
INSTITUTO DE DESARROLLO TECNOLOGICO PARA LA INDUSTRIA QUIMICA
Unidad Ejecutora - UE
artículos
Título:
The Effect of Nearest Neighbor [Pb O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in
Nano-Ordered Pb(Sc1/2 Nb1/2 )O3
Autor/es:
B. P. BURTON, SILVIA TINTE, ERIC COCKAYNE, AND U. V. WAGHMARE
Revista:
INTEGRATED FERROELECTRICS (PRINT)
Editorial:
TAYLOR & FRANCIS LTD
Referencias:
Lugar: London, UK; Año: 2009 vol. 101 p. 37 - 43
ISSN:
1058-4587
Resumen:
Molecular dynamics simulations were performed on a first-principles-based effectiveHamiltonians for chemically short-range ordered Pb(Sc1/2 Nb1/2 ) O3 with nearest neigh-bor [Pb O] divacancy pairs. The divacancy-concentration (X [Pb−O] ) vs. temperaturephase diagram was calculated, and it is topologically equivalent to the hydrostatic pres-sure (P) vs. temperature diagram: a ferroelectric ground-state phase at low X [Pb−O] (P);that transforms to a relaxor paraelectric phase at moderate X [Pb−O] (P); followed by acrossover to a normal paraelectric phase at high X [Pb−O] (P).
