Figure 5: Parametric plot of translational order ttrans against tetrahedrality order qtetra for different temperatures from 1032 to 1800 K obtained from ab initio molecular dynamics simulations of liquid Si. | Scientific Reports

Figure 5: Parametric plot of translational order ttrans against tetrahedrality order qtetra for different temperatures from 1032 to 1800 K obtained from ab initio molecular dynamics simulations of liquid Si.

From: Relationship between structural order and water-like anomalies in metastable liquid silicon: Ab initio molecular dynamics

Figure 5

qtetra and ttrans are not perfectly correlated in the structural anomaly region and with decreasing temperature, the correlation becomes weaker and weaker. Inset: The value of ttrans/qtetra against pressure for different isotherms. Along the isotherm of Tc, ttrans/qtetra is approximately linear with pressure, ttrans/qtetra = 0.0015P + 0.494. With decreasing pressure along the isotherm below Tc, ttrans/qtetra departs downward from the line until the LLPT occurs, while it is the opposite case above Tc.

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