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 |
|---|---|
| Journal | Surface Science |
| Volume | 605 |
| Issue number | 17-18 |
| DOIs | |
| Publication status | Published - Sep 2011 |
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Keywords
- Density functional theory
- Scanning tunneling microscopy
- Simulation
- Strontium titanate
- Surface reconstruction
- Surface structure
ASJC Scopus subject areas
- Surfaces and Interfaces
- Condensed Matter Physics
- Materials Chemistry
- Surfaces, Coatings and Films
Cite this
The (2 × 2) reconstructions on the SrTiO3 (001) surface : A combined scanning tunneling microscopy and density functional theory study. / Lin, Yuyuan; Becerra-Toledo, Andres E.; Silly, Fabien; Poeppelmeier, Kenneth R; Castell, Martin R.; Marks, Laurence D.
In: Surface Science, Vol. 605, No. 17-18, 09.2011.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - The (2 × 2) reconstructions on the SrTiO3 (001) surface
T2 - A combined scanning tunneling microscopy and density functional theory study
AU - Lin, Yuyuan
AU - Becerra-Toledo, Andres E.
AU - Silly, Fabien
AU - Poeppelmeier, Kenneth R
AU - Castell, Martin R.
AU - Marks, Laurence D.
PY - 2011/9
Y1 - 2011/9
N2 - 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.
AB - 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.
KW - Density functional theory
KW - Scanning tunneling microscopy
KW - Simulation
KW - Strontium titanate
KW - Surface reconstruction
KW - Surface structure
UR - http://www.scopus.com/inward/record.url?scp=79960725045&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=79960725045&partnerID=8YFLogxK
U2 - 10.1016/j.susc.2011.06.001
DO - 10.1016/j.susc.2011.06.001
M3 - Article
VL - 605
JO - Surface Science
JF - Surface Science
SN - 0039-6028
IS - 17-18
ER -