The effect of impurities on the ideal tensile strength of silicon

Y. M. Huang, John Spence, Otto F. Sankey

Research output: Contribution to journalArticle

21 Scopus citations

Abstract

Using first-principles electronic structure calculations in the local-density approximation combined with lattice dynamics, we find that undoped silicon is stronger in tension along [111] than n-doped silicon. For p-type doping, a negligible effect is found on ideal tensile strength, whereas heavy n-type-doping causes a reduction of about 6%. The effect is interpreted in terms of the change in electronic structure with strain ε, and the change in the Fermi energy with doping. If ECB (ε) is the contribution to the total internal energy from occupied conduction band states in n-type material, our results identify the slope of ECB (ε) as the controlling influence on tensile strength, which we find to be reduced for silicon.

Original languageEnglish (US)
Pages (from-to)53-62
Number of pages10
JournalPhilosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties
Volume70
Issue number1
DOIs
StatePublished - Jul 1994

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Materials Science(all)
  • Condensed Matter Physics
  • Physics and Astronomy (miscellaneous)
  • Metals and Alloys

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