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  Control of the metal-insulator transition in NdNiO3 thin films through the interplay between structural and electronic properties

Suyolcu, Y. E., Fürsich, K., Hepting, M., Zhong, Z., Lu, Y., Wang, Y., et al. (2021). Control of the metal-insulator transition in NdNiO3 thin films through the interplay between structural and electronic properties. Physical Review Materials, 5(4): 045001, pp. 1-8. doi:10.1103/PhysRevMaterials.5.045001.

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 Creators:
Suyolcu, Y. E.1, Author
Fürsich, K.1, Author
Hepting, M.1, Author
Zhong, Z.1, Author
Lu, Y.1, Author
Wang, Y.1, Author
Christiani, G.1, Author
Logvenov, G.1, Author
Hansmann, P.2, Author              
Minola, M.1, Author
Keimer, B.1, Author
Van Aken, P. A.1, Author
Benckiser, E.1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863445              

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Free keywords: Crystal structure, Density functional theory, Electronic properties, Gallium compounds, High resolution transmission electron microscopy, Metal insulator boundaries, Neodymium compounds, Nickel compounds, Scanning electron microscopy, Semiconductor insulator boundaries, Substrates, Thin films, Transition metal oxides, Transition metals, Correlated electron systems, Crystallographic orientations, Electrical transport measurements, High resolution scanning transmission electron microscopies, Metal-to-insulator transitions, Microscopic length scale, Structural and electronic properties, Structure property relationships, Metal insulator transition
 Abstract: Heteroepitaxy offers a new type of control mechanism for the crystal structure, the electronic correlations, and thus the functional properties of transition-metal oxides. Here we combine electrical transport measurements, high-resolution scanning transmission electron microscopy (STEM), and density functional theory (DFT) to investigate the evolution of the metal-to-insulator transition (MIT) in NdNiO3 films as a function of film thickness and NdGaO3 substrate crystallographic orientation. We find that for two different substrate facets, orthorhombic (101) and (011), modifications of the NiO6 octahedral network are key for tuning the transition temperature TMIT over a wide temperature range. A comparison of films of identical thickness reveals that growth on [101]-oriented substrates generally results in a higher TMIT, which can be attributed to an enhanced bond disproportionation as revealed by the DFT+U calculations, and a tendency of [011]-oriented films to formation of structural defects and stabilization of nonequilibrium phases. Our results provide insights into the structure-property relationship of a correlated electron system and its evolution at microscopic length scales and give new perspectives for the epitaxial control of macroscopic phases in metal-oxide heterostructures. © 2021 authors.

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Language(s): eng - English
 Dates: 2021-04-012021-04-01
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1103/PhysRevMaterials.5.045001
 Degree: -

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Title: Physical Review Materials
  Abbreviation : Phys. Rev. Mat.
Source Genre: Journal
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Publ. Info: College Park, MD : American Physical Society
Pages: - Volume / Issue: 5 (4) Sequence Number: 045001 Start / End Page: 1 - 8 Identifier: ISSN: 2475-9953
CoNE: https://pure.mpg.de/cone/journals/resource/2475-9953