Local atomic structure of thin and ultrathin films via rapid high-energy X-ray total scattering at grazing incidence

Dippel, A.-C.; Roelsgaard, M.; Boettger, U.; Schneller, T.; Gutowski, O.; Ruett, U.

doi:10.1107/S2052252519000514

Figure 4
(a) (Top to bottom) PDFs with fits of a pre-annealed spin-coated ZrO₂ film heated to 295°C, and two crystalline ZrO₂ films prepared from equally pre-annealed layers and heated to 800°C in a rapid thermal annealing process with a heating rate of ∼100°C min⁻¹, and 900°C in air at a slow heating rate of ∼10°C min⁻¹, respectively (blue dots: data, red lines: calculated model, green line: difference curve, offset of −0.5 Å⁻² for clarity), along with the calculated reference PDFs from the ICSD (references 658755 for monoclinic and 93124 for tetragonal with reduced values for U_iso extrapolated to room temperature). Structural models of (b) the double-polyhedron structural motif of the disordered amorphous phase (Tyrsted et al., 2014