Fig. 3: The reduced pair distribution function G(r) from ambient pressure to ~10 GPa. | Nature Communications

Fig. 3: The reduced pair distribution function G(r) from ambient pressure to ~10 GPa.

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

Fig. 3

a GeSe and b GeTe. The G(r) of GeTe is obtained after subtracting the crystalline contribution from the diffraction intensity I(Q). The curves are vertically shifted by 2.0 Å−2 for clarity. c The pressure dependence of the ratio of the second to the first nearest neighbor distance R = r2/r1 for GeSe (square) and GeTe (rhombus). The peak positions r1 and r2 are determined from the fitting with cubic spline interpolation. The solid line is the fitting by an error function. The half-filled symbols of GeTe are the data points obtained after removing the contribution of the partial crystallization (see the details in Supplementary Info). d The pressure derivative of the fitted R curve for GeSe. The maximum in –dR/dP is used to define the polyamorphic transition pressure Paa = 3.7 GPa (dashed line), corresponding to the inflection point of the error function in (c).

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