Strain-induced quasi-one-dimensional rare-earth silicide structures on Si(111)

After deposition of rare-earth elements (Dy, Tb) on Si(111) at elevated temperatures, a formerly unknown 23×3R30∘ reconstruction is observed by low-energy electron diffraction, while scanning tunneling microscopy measurements exhibit a 3×3R30∘ reconstruction. On the basis of density-functional theor...

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Bibliographic Details
Published in:Physical review. B 2016-11, Vol.94 (20), Article 205431
Main Authors: Timmer, F., Oelke, R., Dues, C., Sanna, S., Schmidt, W. G., Franz, M., Appelfeller, S., Dähne, M., Wollschläger, J.
Format: Article
Language:English
Subjects:
Antiphase boundaries
Diffraction theory
High temperature
Intermetallic compounds
Low energy electron diffraction
Mathematical analysis
Periodic variations
Rare earth elements
Reconstruction
Silicides
Silicon
Unit cell
Vacancies
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Summary:After deposition of rare-earth elements (Dy, Tb) on Si(111) at elevated temperatures, a formerly unknown 23×3R30∘ reconstruction is observed by low-energy electron diffraction, while scanning tunneling microscopy measurements exhibit a 3×3R30∘ reconstruction. On the basis of density-functional theory calculations, the structure of the larger unit cell is explained by periodically arranged subsurface Si vacancies. The vacancy network in the first subsurface layer has a 3×3R30∘ periodicity, while strain is released by a 23×3R30∘ Si vacancy network in the second subsurface layer. In addition, this vacancy network forms quasi-one-dimensional structures (striped domains) separated by periodically arranged antiphase domain boundaries. The diffraction spot profiles are explained in detail by kinematic diffraction theory calculations, and average domain widths are deduced.
ISSN:2469-9950
2469-9969
DOI:10.1103/PhysRevB.94.205431