BaTiO3(001)-(2×1): surface structure and spin density.
Phys Rev Lett
; 108(21): 215502, 2012 May 25.
Article
en En
| MEDLINE
| ID: mdl-23003278
ABSTRACT
Using surface x-ray diffraction and ab initio calculations we present a model of the BaTiO3(001)-(2×1) surface structure, which has not been considered so far. While the crystal is terminated by two TiO2 layers similarly to SrTiO3(001)-(2×1), we find that one out of two surface layer Ti-atoms resides in a tetragonal pyramidal oxygen environment. This peculiar geometry leads to a metallic and magnetic surface involving local magnetic moments up to 2µ(B) in magnitude located at surface Ti and O atoms. Our results are important for the understanding of the intrinsic surface metallicity of insulating oxides in general.
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01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Phys Rev Lett
Año:
2012
Tipo del documento:
Article
País de afiliación:
Alemania