Figure 3: FE-like distortions in LAO and STO as a strain-accommodation alternative. | Nature Communications

Figure 3: FE-like distortions in LAO and STO as a strain-accommodation alternative.

From: Hidden lattice instabilities as origin of the conductive interface between insulating LaAlO3 and SrTiO3

Figure 3

Grey histograms, the evolution of the epitaxial-strain energy with increasing LAO-film thickness. Black curves, the FE-like distortion energies in LAO and STO as a function of the symmetry-breaking atomic displacements (dA,B). Red dotted–dashed line, the respective FE-like distortion energies in 4-, 5- and 10-uc LAO/STO contributed by the maximal atomic displacements, dA,B, in the interfacial LAO and STO uc. The insulating 3-uc counterpart is free from FE-like distortion, thus null. All calculations ignore cation intermixing for simplicity. Above 3 uc, the evolution of the FE-like distortion energy (red) closely mimics that of the epitaxial-strain energy, providing the energetics footing of the FE-like distortions as an alternative for strain accommodation. See text for detail.

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