Article ID Journal Published Year Pages File Type
1811934 Physica B: Condensed Matter 2011 4 Pages PDF
Abstract
► The comparison between SW, Tersoff (T3), EDIP and DFT is performed for divacancy and hexavacancy. ► The limitations and validities of the three classical potentials are discussed. ► It is found that SW should be the best potential to describe V2 and V6.
Keywords
Related Topics
Physical Sciences and Engineering Physics and Astronomy Condensed Matter Physics
Preview
Comparative study of the empirical interatomic potentials and density-functional simulations of divacancy and hexavacancy in silicon
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