Author Topic: Si EAM potential possibly incorrect source.  (Read 3428 times)

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Offline amitwsu

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Si EAM potential possibly incorrect source.
« on: December 21, 2017, 23:12 »
Hi,
I noticed, when working with ATK Classical, one of the available potential is EAM_PdSi_Sheng_2011. The Literature Reference for this potential is

Sheng, HW and Kramer, MJ and Cadien, A and Fujita, T and Chen, MW, Highly optimized embedded-atom-method potentials for fourteen fcc metals, Physical Review B, 83, p. 134118, 2011.

however, reading through the paper, there is no mention of Silicon. It seems to me that the source is incorrect. Or possibly the EAM potential. I haven't checked if this EAM potential will produce reasonable numbers for Silicon or not.

Best
Amit

Offline Anders Blom

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Re: Si EAM potential possibly incorrect source.
« Reply #1 on: December 22, 2017, 06:20 »
You are correct. The actual source for some of Sheng's EAM potentials is the website, https://sites.google.com/site/eampotentials, and the Pd-Si one doesn't appear to have a real literature reference. It seems we copied the main reference for the 14 simple metals to all potentials from that site...