Format

Send to

Choose Destination
Phys Rev Lett. 2007 Feb 16;98(7):076102. Epub 2007 Feb 15.

Surface of strontium titanate.

Author information

1
Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen, Switzerland.

Abstract

We report the first complete determination, using surface x-ray diffraction, of the surface structure of TiO2-terminated SrTiO3(001), both at room temperature in vacuum, and also hot, under typical conditions used for thin film growth. The cold structure consists of a mixture of a (1x1) relaxation and (2x1) and (2x2) reconstructions. The latter disappear over several minutes upon heating. The structures are best modeled by a TiO2-rich surface similar to that proposed by Erdman et al. [Nature (London) 419, 55 (2002).10.1038/nature01010]. Both reconstructions have been shown by density functional theory to be energetically favorable. The calculated (1x1) surface energy is higher, indicating that it may be a disordered mixture of the reconstructions. Atomic displacements are significant down to three unit cells, which may have important implications on possible surface ferroelectric phenomena in SrTiO3.

Supplemental Content

Full text links

Icon for American Physical Society
Loading ...
Support Center