4.7 Article

Short range order in elemental liquids of column IV

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JOURNAL OF CHEMICAL PHYSICS
卷 142, 期 19, 页码 -

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AMER INST PHYSICS
DOI: 10.1063/1.4921137

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The short range order (SRO) in liquid elements of column IV is analysed within the quasi-crystalline model across a wide range of temperatures. It is found that l-Si, Ge, and Sn are well described with a beta-tin like SRO. In contrast, Pb retains a bcc-like SRO similar to other simple elemental liquids. However, a distinction is found between the SRO in Si and Ge and that in Sn, where the latter has a more rigid structure. This difference persists across the entire temperature range examined but is overcome in Si at pressures above 8 GPa, where the liquid structure evolves towards that of Sn. (C) 2015 AIP Publishing LLC.

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