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Liquid-liquid phase transition in Stillinger-Weher silicon

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JOURNAL OF PHYSICS-CONDENSED MATTER
卷 17, 期 15, 页码 2269-2279

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IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/17/15/002

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It was recently demonstrated that Stillinger-Weber silicon undergoes a liquid-liquid first-order phase transition deep into the supercooled region (Sastry and Angell 2003 Nat. Mater. 2 739). Here we study the effects of perturbations on this phase transition. We show that the order of the liquid-liquid transition changes with negative pressure. We also find that the liquid-liquid transition disappears when the three-body term of the potential is strengthened by as little as 5%. This implies that the details of the potential could affect strongly the nature and even the existence of the liquid-liquid phase.

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