Ordering of dimer vacancies on the Si(100) surface

Journal Article · Wed Sep 01 04:00:00 EDT 1999 · Physical Review, B: Condensed Matter

DOI:https://doi.org/10.1103/PhysRevB.60.8680· OSTI ID:686553

Kim, E; Chen, C; Pang, T ^[1]; Lee, Y H ^[2]

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1. Department of Physics, University of Nevada, Las Vegas, Nevada 89154 (United States)
2. Department of Physics and Semiconductor Physics Research Center, Jeonbuk National University, Jeonju 561-756 (Republic of Korea)

We have investigated the ordering of dimer vacancies, in particular the formation of dimer-vacancy line defects, on the Si(100) surface using a tight-binding total-energy approach. We find that the dimer-vacancy line formed perpendicular to the direction of the surface dimer row is energetically favorable at low vacancy concentrations, whereas at higher vacancy concentrations the dimer-vacancy line is aligned parallel to the direction of the surface dimer row. The energetics and geometries of various dimer-vacancy configurations and the possible pathways to the line-defect formation through the diffusion of dimer vacancies are discussed. The calculated results are in good agreement with experiments and provide an explanation for the observed structural transition resulted from a temperature-driven random-ordered dimer-vacancy redistribution. {copyright} {ital 1999} {ital The American Physical Society}

• OSTI ID: 686553
• Journal Information: Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 12 Vol. 60; ISSN 0163-1829; ISSN PRBMDO
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CRYSTAL DEFECTS
DIMERS
MICROSTRUCTURE
ORDER-DISORDER MODEL
SILICON
SURFACE PROPERTIES
VACANCIES