Phys. Rev. Lett. 74, 960–963 (1995)Ferroelectric-Monolayer Reconstruction of the SrTiO3 (100) SurfaceReceived 11 October 1994; published in the issue dated 6 February 1995 Computer simulations of the two (100) surfaces of cubic SrTiO3 show that the top layer of the SrO-terminated surface reconstructs to a ferroelectric-monolayer phase while the TiO2-terminated surface remains bulklike. This behavior is shown to arise from a delicate crystal-environment sensitive competition between the long-range Coulomb and the short-range repulsive interactions. © 1995 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.74.960
DOI:
10.1103/PhysRevLett.74.960
PACS:
68.35.Bs, 68.35.Md, 77.80.Dj, 77.84.Dy
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