Surface Energy Calculation for FCC Metals with Negative Cauchy’s Discrepancy using the GEAM
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Abstract
The three low-index surfaces of fcc metals with negative Cauchy’s discrepancy, strontium (Sr) and Iridium (Ir) are here investigated using the generalized embedded-atom method (GEAM), a model developed by Oni-Ojo et al. (2007) and the corresponding surface energies calculated. The low-index surface energies studied are: , and , with having the lowest and having the highest energy value. The predicted values are in good agreement with the experimental values.
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