Abstract
We propose a method to calculate well-relaxed interface/surface properties by using order-parameters to evaluate interface/surface microstructures. Structural relaxation greatly influences the energies of the a/c interface and the surface. It is found that the interface energies are smaller than the surface energy and do not depend significantly on the crystal orientation. These findings agree very well with the experiments. The interface stress is also smaller than the surface stress and involves the scattering across a broad range.
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Izumi, S., Hara, S., Kumagai, T., Sakai, S. (2004). Elastic Properties of the Surfaces and Interfaces of Crystal and Amorphous Silicon. In: Kitagawa, H., Shibutani, Y. (eds) IUTAM Symposium on Mesoscopic Dynamics of Fracture Process and Materials Strength. Solid Mechanics and its Applications, vol 115. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-2111-4_12
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DOI: https://doi.org/10.1007/978-1-4020-2111-4_12
Publisher Name: Springer, Dordrecht
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