[001] surface structure in SrTiO3 - Atomistic study

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

doi:10.1142/S0218625X98000633

[001] surface structure in SrTiO₃ - Atomistic study

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

Department of Materials Engineering

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

Thin superconducting films attract great attention as a promising material for plenty of applications. The surface determines most of the physical properties of these films. We studied the polarization effect for the [001] surface of perovskite ABO₃ superconducting crystals on the example of SrTiO₃. Optimization of the ion positions in several surface layers is provided. These ions are placed in the external field of the rest crystal. The interaction between ions is described by means of the shell model technique. We show that Ti⁺⁴, Sr²⁺ and O^-2 ions displace differently from their crystalline sites, which leads to the creation of a dipole moment in the near-surface region.

Original language	English
Pages (from-to)	341-345
Number of pages	5
Journal	Surface Review and Letters
Volume	5
Issue number	1
DOIs	https://doi.org/10.1142/S0218625X98000633
State	Published - 1 Jan 1998

ASJC Scopus subject areas

Condensed Matter Physics
Surfaces and Interfaces
Surfaces, Coatings and Films
Materials Chemistry

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abstract = "Thin superconducting films attract great attention as a promising material for plenty of applications. The surface determines most of the physical properties of these films. We studied the polarization effect for the [001] surface of perovskite ABO3 superconducting crystals on the example of SrTiO3. Optimization of the ion positions in several surface layers is provided. These ions are placed in the external field of the rest crystal. The interaction between ions is described by means of the shell model technique. We show that Ti+4, Sr2+ and O-2 ions displace differently from their crystalline sites, which leads to the creation of a dipole moment in the near-surface region.",

author = "Eugene Heifets and Simon Dorfman and David Fuks and Eugene Kotomin and Alex Gordon",

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AU - Heifets, Eugene

AU - Dorfman, Simon

AU - Fuks, David

AU - Kotomin, Eugene

AU - Gordon, Alex

PY - 1998/1/1

Y1 - 1998/1/1

N2 - Thin superconducting films attract great attention as a promising material for plenty of applications. The surface determines most of the physical properties of these films. We studied the polarization effect for the [001] surface of perovskite ABO3 superconducting crystals on the example of SrTiO3. Optimization of the ion positions in several surface layers is provided. These ions are placed in the external field of the rest crystal. The interaction between ions is described by means of the shell model technique. We show that Ti+4, Sr2+ and O-2 ions displace differently from their crystalline sites, which leads to the creation of a dipole moment in the near-surface region.

AB - Thin superconducting films attract great attention as a promising material for plenty of applications. The surface determines most of the physical properties of these films. We studied the polarization effect for the [001] surface of perovskite ABO3 superconducting crystals on the example of SrTiO3. Optimization of the ion positions in several surface layers is provided. These ions are placed in the external field of the rest crystal. The interaction between ions is described by means of the shell model technique. We show that Ti+4, Sr2+ and O-2 ions displace differently from their crystalline sites, which leads to the creation of a dipole moment in the near-surface region.

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[001] surface structure in SrTiO₃ - Atomistic study

Abstract

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