Embedded-atom Potential for Oxygen-中国期刊网

摘要 Theanalyticembedded-atompotentialforoxygenisdevelopedfromtheexperimentaldataandtheresultsofthefirst-principle.ThepotentialisusedtopredictthegeometriesandenergiesofO3,fcc,bcc,scanddiamond.Thepredictionsareingoodagreementwithexperimentaldataavailableandothertheoreticalresults.

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Embedded-atom Potential for Oxygen

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Embedded-atom Potential for Oxygen

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