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(-1) tensile strength. The present paper quantifies the surface stress by a density functional theory calculation. We found a value exceeding the nominal value used, which potentially affects the measurement accuracy.

Density functional theory calculations of the stress of oxidised (1 1 0) silicon surfaces / Melis, C; Giordano, S; Colombo, L; Mana, G. - In: METROLOGIA. - ISSN 0026-1394. - 53:6(2016), pp. 1339-1345. [10.1088/0026-1394/53/6/1339]

Density functional theory calculations of the stress of oxidised (1 1 0) silicon surfaces

Mana, G
Writing – Original Draft Preparation
2016

Abstract

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(-1) tensile strength. The present paper quantifies the surface stress by a density functional theory calculation. We found a value exceeding the nominal value used, which potentially affects the measurement accuracy.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11696/67788
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