Fig. 5: Simulations of amorphous GeTe under pressure. | Nature Communications

Fig. 5: Simulations of amorphous GeTe under pressure.

From: Pressure-induced reversal of Peierls-like distortions elicits the polyamorphic transition in GeTe and GeSe

Fig. 5

a Angular limited three-body correlation (ALTBC) plots of GeTe at 0.0, 0.59, 0.97 and 1.97 GPa showing suppression of Peierls-like distortion for increasing pressure. b The electronic density of states (DOS) of amorphous GeTe at three representative pressures, 0.0, 0.59 and 1.97 GPa. The DOS exhibits a reduction of the pseudo-bandgap near the Fermi level with increasing pressure. c A pressure–temperature (P–T) schematic illustrating the influence of pressure and temperature on the Peierls-like distortion in p-bonded amorphous solids or liquids of PCMs. The dashed line represents specific P–T combinations, separating the regions with and without the Peierls-like distortions and corresponding to the possible polyamorphic transitions or LLTs at high temperatures and high pressures. Under this line, numerous P–T combinations (shaded blue area) may be used to achieve different levels of Peierls-like distortions for materials property tuning.

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