Quantifying octahedral rotations in strained perovskite oxide films

摘要: We have measured the oxygen positions in ${\text{LaNiO}}_{3}$ films to elucidate coupling between epitaxial strain and octahedral rotations. The are determined by comparing calculated intensities of half-order Bragg peaks, arising from Combining ab initio density-functional calculations with these experimental results, we show how systematically modifies both bond angles lengths this functional perovskite oxide.