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Liquid-liquid phase transitions in silicon

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FIG. 1. (a) The Si charge Z ¯ versus the free electron density n f . At low density, a drop in Z¯ may cause an ionization driven transition (IDT)
Figure 2 displays F 12 ð ρÞ ¯ for l-Si at 1200 K. Similar (weaker) discontinuities are found even at T ¼ 1 eV (see the Supplemental Material)
FIG. 5. The ion-ion potentials of the HDL and LDL are shown against their PDFs (scaled to match the potentials)
Figure 7 indicates that DFT-SCAN estimates of ρðTÞ ¯ agree well with the experimental data of Zhou et al

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