Bibliographic Details
| Title: |
THE EFFECT OF NEAREST NEIGHBOR [Pb─O] DIVACANCY PAIRS ON THE FERROELECTRIC-RELAXOR TRANSITION IN NANO-ORDERED Pb(Sc1/2Nb1/2)O3. |
| Authors: |
BURTON, B. P.1 benjamin.burton@nist.gov, TINTE, SILVIA1, COCKAYNE, ERIC1, WAGHMARE, U. V.2 |
| Source: |
Integrated Ferroelectrics. 2008, Vol. 101 Issue 1, p37-43. 7p. 1 Diagram, 1 Chart, 2 Graphs. |
| Subjects: |
Ferroelectricity, Molecular dynamics, Hydrostatic pressure, Topology, Phase transitions |
| Abstract: |
Molecular dynamics simulations were performed on a first-principles-based effective Hamiltonians for chemically short-range ordered Pb(Sc1/2Nb1/2) O3 with nearest neighbor [Pb─O] divacancy pairs. The divacancy-concentration (X[Pb-O]) vs. temperature phase diagram was calculated, and it is topologically equivalent to the hydrostatic pressure (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 a crossover to a normal paraelectric phase at high X[Pb - O](P). [ABSTRACT FROM AUTHOR] |
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| Database: |
Engineering Source |
