Please use this identifier to cite or link to this item: https://doi.org/10.1140/epjb/e2002-00197-6
Title: Modeling generalized stacking faults in Au using the tight-binding potential combined with a simulated annealing method
Authors: Cai, J.
Wang, J.-S. 
Keywords: 61.72.Nn stacking faults and other planar or extended defects
71.15.Nc Total energy and cohesive energy calculations
Issue Date: 1-Jul-2002
Citation: Cai, J., Wang, J.-S. (2002-07-01). Modeling generalized stacking faults in Au using the tight-binding potential combined with a simulated annealing method. European Physical Journal B 28 (1) : 45-48. ScholarBank@NUS Repository. https://doi.org/10.1140/epjb/e2002-00197-6
Abstract: The tight-binding potential combined with a simulated annealing method is used to study the generalized stacking fault (GSF) structure and corresponding energy of gold. The potential is chosen to fit band structures and total energies from a set of first-principle calculations [Phys. Rev. B 54, 4519 (1996)]. It is found that the relaxed stacking fault energy (SFE) and unstable SFE are equal to 46 and 102 mJ/m2, respectively, and are in good agreement with first principles calculations and experiment. In addition, the structure properties of the relaxed GSF of metal Au are also presented.
Source Title: European Physical Journal B
URI: http://scholarbank.nus.edu.sg/handle/10635/104816
ISSN: 14346028
DOI: 10.1140/epjb/e2002-00197-6
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