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First principles study of three-component SrTiO3/BaTiO3/PbTiO3ferroelectric superlattices

โœ Scribed by S. H. Shah; P. D. Bristowe; A. M. Kolpak; A. M. Rappe


Book ID
106393642
Publisher
Springer
Year
2008
Tongue
English
Weight
423 KB
Volume
43
Category
Article
ISSN
0022-2461

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The structural relaxation and formation energies of intrinsic vacancies in cubic-BaTiO 3 were studied by using a first-principles planewave-based pseudopotential calculation. The calculated defect formation energies and the atomic relaxations were compared with previously reported data for SrTiO 3 [