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First-principles study of the response to strain in BaTiO 3 /SrTiO 3 superlattices

โœ Scribed by Zhu, Zhen Ye; Zhang, Hua Yu; Tan, Manlin; Zhang, Xing Hong; Han, Jie Cai


Book ID
118046794
Publisher
Institute of Physics
Year
2008
Tongue
English
Weight
166 KB
Volume
41
Category
Article
ISSN
0022-3727

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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 [