Atomistic study of surface polarization in superconducting perovskites

David Fuks, Simon Dorfman, Eugene Heifets, Eugene Kotomin, Alex Gordon

Research output: Contribution to journalConference articlepeer-review


We simulated the surface relaxation of the cubic perovskite paraelectric SrTiO3 crystal. The atomic positions in ten near-surface layers placed into the electrostatic field of the remainder of the crystal were calculated. Two-dimensional, periodic slab model was combined with the pair potentials treated in terms of the shell-model. Our calculations show that Ti+4, Sr+2 and O-2 ions shift differently from their crystal sites. This leads to a creation of a dipole moment near the surface which might give the paraelectric crystal the ferroelectric properties.

Original languageEnglish
Pages (from-to)305-310
Number of pages6
JournalMaterials Research Society Symposium - Proceedings
StatePublished - 1997
Externally publishedYes
EventProceedings of the 1996 MRS Fall Symposium - Boston, MA, USA
Duration: 2 Dec 19965 Dec 1996

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


Dive into the research topics of 'Atomistic study of surface polarization in superconducting perovskites'. Together they form a unique fingerprint.

Cite this