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Updated: May 15, 2026

Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon
Published on: July 17, 2020
A new parametrization of the Stillinger-Weber potential for an improved description of defects and plasticity of
L Pizzagalli1, J Godet, J Guénolé
1Department of Physics and Mechanics of Materials, Institut P', CNRS - Université de Poitiers UPR 3346, SP2MI, BP 30179, F-86962 Futuroscope Chasseneuil Cedex, France. Laurent.Pizzagalli@univ-poitiers.fr
Abstract:
A new parametrization of the widely used Stillinger-Weber potential is proposed for silicon, allowing for an improved modelling of defects and plasticity-related properties. The performance of the new potential is compared to the original version, as well as to another parametrization (Vink et al 2001 J. Non-Cryst. Solids, 282 248), in the case of several situations: point defects and dislocation core stability, threshold displacement energies, bulk shear, generalized stacking fault energy surfaces, fracture, melting temperature, amorphous structure, and crystalline phase stability. A significant improvement is obtained in the case of dislocation cores, bulk behaviour under high shear stress, the amorphous structure, and computation of threshold displacement energies, while most of the features of the original version (elastic constants, point defects) are retained. However, despite a slight improvement, a complex process like fracture remains difficult to model.
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