Atomic Configurations and Energetics of Arsenic Impurities in a Silicon Grain Boundary

Journal Article · Wed Jul 01 00:00:00 EDT 1998 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.81.132· OSTI ID:638807

Chisholm, M F; Maiti, A; Pennycook, S J; Pantelides, S T ^[1]; Maiti, A; Pantelides, S T ^[2]

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1. Solid State Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831-6030 (United States)
2. Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235 (United States)

We report direct atomic-resolution Z -contrast imaging of arsenic impurities segregated in specific atomic columns in a silicon grain boundary. Through a combination of image intensity analysis, first-principles calculations, and statistical mechanics, we establish that segregation occurs in the form of {ital isolated dimers.} The formation of As dimers in the boundary is shown to be favored over ordered chains by entropic considerations and kinetic constraints. The observed segregation is consistent with known solubilities. {copyright} {ital 1998} {ital The American Physical Society}

• Research Organization: Oak Ridge National Laboratory
• DOE Contract Number: AC05-96OR22464
• OSTI ID: 638807
• Journal Information: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 1 Vol. 81; ISSN 0031-9007; ISSN PRLTAO
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ARSENIC
DIMERS
GRAIN BOUNDARIES
IMPURITIES
SEGREGATION
SILICON
STATISTICAL MECHANICS
TRANSMISSION ELECTRON MICROSCOPY