Journal
ACTA MATERIALIA
Volume 59, Issue 10, Pages 3779-3791Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2011.02.008
Keywords
Ferroelectric films; Perovskites; Thermodynamics; Elastic domains; Phase coexistence
Funding
- Shandong University [31370080963003]
- Scientific Research Foundation (SRF) for the Returned Overseas Chinese Scholars, State Education Ministry (ROCS, SEM)
- NSFC of China [51002088]
- Shandong Province Outstanding Young Scientist Research Fund [BS2010CL029]
- NSF [0907122]
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [0907122] Funding Source: National Science Foundation
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In this work, the thermodynamics of formation of tetragonal and rhombohedral heterophase polydomains in ferroelectric films is explained by the theory of elastic domains. The energetics of the heterophase polydomain microstructure are analyzed. The three major energy terms determining the crystalline orientation of the interdomain interface, i.e. interdomain elastic energy, interdomain electrostatic energy and domain interface energy, are investigated and compared. The crystalline orientation of the elastically best fitting plane between the two phases is analytically solved under an isotropic approximation of elasticity. It is found that a {1 1 2} type of domain interface minimizes interdomain elastic energies. Using available material parameters, it is found that the {1 1 2} domain interface prevails in Pb(Zr, Ti)O-3, Pb(Mg-1/3 Nb-2/3)O-3 PbTiO3 and BiFeO3 heterophase polydomains under zero applied electric field, as elastic energy is the dominant factor of interdomain interactions in all three systems. On the other hand, an increasing interdomain electrostatic energy under a poling field may induce a different domain interface, which is beneficial to extrinsic electromechanical responses. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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