Density functional theory calculations of the stress of oxidised (110)   silicon surfaces
  The measurement of the lattice-parameter of silicon by x-ray interferometry assumes the use of strain-free crystals. This might not be the case because surface relaxation, reconstruction, and oxidation cause strains without the application of any external force. In a previous work, this intrinsic strain was estimated by a finite element analysis, where the surface stress was modeled by an elastic membrane having a 1 N/m tensile strength. The present paper quantities the surface stress by a density functional theory calculation. We found a value exceeding the nominal value used, which potentially affects the measurement accuracy. 
C Melis, S Giordano, L Colombo and G Mana
physics.comp-ph cond-mat.mtrl-sci