Title of article
A theoretical study of the unreconstructed polar 111/face of SrTiO3
Author/Authors
A. Pojani، نويسنده , , F. Finocchi، نويسنده , , C. Noguera )، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1999
Pages
5
From page
177
To page
181
Abstract
The stability of the stoichiometric 1=1.polar 111.face of SrTiO3 is discussed using a total energy semiempirical
Hartree–Fock method. A strong electron redistribution takes place in order to cancel the polarity, but the surface keeps its
insulating character. The computed surface energy is close to that of the nonpolar 100.surface, at variance with polar 111.
surfaces of rocksalt oxides. q1999 Elsevier Science B.V. All rights reserved
Keywords
Strontium titanate oxide , Semiempirical models and model calculations , Surface energy , Polar surfaces
Journal title
Applied Surface Science
Serial Year
1999
Journal title
Applied Surface Science
Record number
995287
Link To Document