Colour section plate captions

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Plate I (Chapter 2) Contour plot of Ecoh along (a) the tetragonal and (b) the trigonal continuous path. Lighter (red) regions correspond to preferable structures (with higher Ecoh), while darker (blue) regions are less favourable. BCC and FCC lattices correspond to c/a = 1 and c/a = √2 (dashed lines), respectively. White dots represent maxima of the Ecoh, crossed regions have negative Ecoh, and the interval between lines is 0.05 eV. Labels I, II, 1D, and 2D-T refer to corresponding stable structures. Source: Adapted from Volonakis et al. (2013a); © IOP Publishing. Reproduced by permission of IOP Publishing. All rights ...

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