Ferroelectricity in strained Ca0.5Sr0.5TiO3 from first principles

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...

Volledige beschrijving

Bibliografische gegevens
Hoofdauteurs: Halilov, Samed, Ashman, Christopher R., Hellberg, C. Stephen
Andere auteurs: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Formaat: Artikel
Taal:en_US
Gepubliceerd in: American Physical Society 2011
Online toegang:http://hdl.handle.net/1721.1/60914

Internet

http://hdl.handle.net/1721.1/60914

Gelijkaardige items