Fig. 5: Switching barrier control by biaxial strain and chemical doping. | npj Computational Materials

Fig. 5: Switching barrier control by biaxial strain and chemical doping.

From: Quadruple-well ferroelectricity and moderate switching barrier in defective wurtzite α-Al2S3: a first-principles study

Fig. 5

a Total energy evolution in the MEPs of α-Al2S3 under biaxial strain ranging from –2 to 2%. The highest total energies in each MEP are set to 0 meV/cation. b Switching barriers plotted against biaxial strain. c Total energy evolution in the MEPs for the representative structural models of Al(12-x)/6Gax/6S3 with x = 0, 2, 4, 6, 8, 10, and 12. d Box plot of the switching barriers as a function of doping concentration x. The whiskers extend to the maximum and minimum data points.

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