Effective Pair Potentials of Liquid Silicon and Gallium Estimate from Experimental Structure Factor Data

The effective pair potentials of liquid Si and Ga have been calculated from measured structural data by applying the modified hypernetted-chain equation coupled with predictor-corrector method.The calculation was also made for liquid Na for comparison.The effective pair potential of liquid Si indicates the ledge-type repulsive core part with weak attractive feature, whereas the long range oscillatory behavior, similar to the typical liquid metals, is clearly observed in liquid Ga.The usefulness of the effective pair potentials presently obtained for three liquid metals was confirmed by reproducing the structural behavior and self-diffusion and visocity coefficients, as well.

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