Abstract
Scanning tunneling microscopy study showed that the (2 × 2) reconstruction on the (001) surface of SrTiO3 should have a surface structure with a 4-fold symmetry. The previously proposed solution for the (2 × 2) reconstruction with the p2gm symmetry only has a 2-fold symmetry. In this study density functional theory study was carried out to propose a possible surface structure with the p4mm surface symmetry which matches the scanning tunneling microscopy images and suggests that two different (2 × 2) surface structures exist. The formation of the (2 × 2) reconstruction with the p4mm symmetry may be due to the kinetics as it has slightly higher surface energy than the one with the p2gm symmetry.
Original language | English |
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Pages (from-to) | L51-L55 |
Journal | Surface Science |
Volume | 605 |
Issue number | 17-18 |
DOIs | |
Publication status | Published - Sep 2011 |
Keywords
- Density functional theory
- Scanning tunneling microscopy
- Simulation
- Strontium titanate
- Surface reconstruction
- Surface structure
ASJC Scopus subject areas
- Condensed Matter Physics
- Surfaces and Interfaces
- Surfaces, Coatings and Films
- Materials Chemistry