Control of the metal-insulator transition in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="normal">NdNiO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math> thin films through the interplay between structural and electronic properties

Heteroepitaxy offers a new type of control mechanism for the crystal structure, electronic correlations, and thus functional properties transition-metal oxides. Here, we combine electrical transport measurements, high-resolution scanning transmission electron microscopy (STEM), density theory (DFT) to investigate evolution metal-to-insulator transition (MIT) in NdNiO$_3$ films as function film thickness NdGaO$_3$ substrate crystallographic orientation. We find that two different facets, orthorhombic (101) (011), modifications NiO$_6$ octahedral network are key tuning temperature $T_{\text{MIT}}$ over wide range. A comparison identical reveals growth on [101]-oriented substrates generally results higher $T_{\text{MIT}}$, which can be attributed an enhanced bond-disproportionation revealed by DFT+$U$ calculations, tendency [011]-oriented formation structural defects stabilization non-equilibrium phases. Our provide insights into structure-property relationship correlated system its at microscopic length scales give perspectives epitaxial macroscopic phases metal-oxide heterostructures.