Ferroelectricity in strained Ca0.5Sr0.5TiO3 from first principles
We present a density-functional theory investigation of strained Ca[subscript 0.5]Sr[subscript 0.5]TiO[subscript 3] (CSTO). We have determined the structure and polarization for a number of arrangements of Ca and Sr in a 2×2×2 supercell. The a and b lattice vectors are strained to match the lattice...
| Principais autores: | , , |
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| Outros Autores: | |
| Formato: | Artigo |
| Idioma: | en_US |
| Publicado em: |
American Physical Society
2011
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| Acesso em linha: | http://hdl.handle.net/1721.1/60914 |