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Ab initio studies on phase behavior of barium titanate
Date
2002-04-05
Author
Uludogan, M
Cagin, T
Goddard, WA
Metadata
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Using DFT methods we have studied structure, equation of state, and phase behavior of BaTiO3. We have identified the pressure induced phase transformations from the rhombohedral to orthorhombic structure at ca. 5 GPa and from tetragonal phase to cubic phase at ca. 7.5 GPa.
Subject Keywords
Bati03
URI
https://hdl.handle.net/11511/66579
Collections
Department of Physics, Conference / Seminar
Citation Formats
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BibTeX
M. Uludogan, T. Cagin, and W. Goddard, “Ab initio studies on phase behavior of barium titanate,” SAN FRANCISCO, CA, 2002, vol. 718, p. 341, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/66579.
