Dissociative chemisorption of O2 inducing stress corrosion cracking in silicon crystals

Phys Rev Lett. 2014 Mar 21;112(11):115501. doi: 10.1103/PhysRevLett.112.115501. Epub 2014 Mar 18.

Abstract

Fracture experiments to evaluate the cleavage energy of the (110)[1 1 0] and (111)[1 1 2] cleavage systems in silicon at room temperature and humidity give 2.7 ± 0.3 and 2.2 ± 0.2 J/m(2), respectively, lower than any previous measurement and inconsistent with density functional theory (DFT) surface energy calculations of 3.46 and 2.88 J/m(2). However, in an inert gas environment, we measure values of 3.5 ± 0.2 and 2.9 ± 0.2 J/m(2), consistent with DFT, that suggest a previously undetected stress corrosion cracking scenario for Si crack initiation in room conditions. This is fully confirmed by hybrid quantum-mechanics-molecular-mechanics calculations.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Adsorption
  • Corrosion
  • Models, Chemical*
  • Oxygen / chemistry*
  • Quantum Theory
  • Silicon / chemistry*
  • Thermodynamics

Substances

  • Oxygen
  • Silicon