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Realizing Modulations in Electron Correlations for Perovskite Mott-System via Tunning A-Site Covalency.

Jingxin Gao1, Yusong Zhao1, Hao Zhang1

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Small (Weinheim an Der Bergstrasse, Germany)
|January 15, 2026
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Summary
This summary is machine-generated.

Electron correlation (U) in perovskite nickelates is key to their unique properties. Researchers tuned U by adding Bi, significantly improving metal-to-insulator transitions and enhancing resistive switches.

Keywords:
correlated oxidesmetal to insulator transitionsnickelates

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Solid-State Chemistry

Background:

  • Electron correlation (U) in d-orbital perovskite Mott systems drives functionalities like metal-to-insulator transitions (MIT), high-TC superconductivity, and multiferroics.
  • Modulating electron correlation (U) in these materials remains a challenge.

Purpose of the Study:

  • To develop a strategy for tuning electron correlation (U) in correlated perovskite nickelates (RENiO3).
  • To investigate the effect of manipulating RE-site covalency via Bi-substitutions on U and material properties.

Main Methods:

  • Partial Bi-substitutions were introduced into RE-site of RENiO3 to manipulate RE-site covalency.
  • Synchrotron-based X-ray absorption spectroscopies were employed to probe changes in electronic structure.
  • First-principles calculations were used to support experimental findings and understand the underlying mechanisms.

Main Results:

  • Bi-substitutions increased the covalency between Bi-6s and O-2p, enlarging Ni-3d occupancy and increasing U by 2-3 times.
  • Ground-state band gap (Eg) and resistivity were effectively increased, enhancing resistive switches by up to 40 times across adjustable critical temperatures (TMIT) from 75-400 K.
  • Bi-substitutions decreased TMIT due to larger ionic radii, indicating that charge transfer gap, not U, determines phase stability across MIT.

Conclusions:

  • Tuning electron correlation (U) via A-site covalency offers a new pathway for optimizing functionalities in correlated perovskites.
  • The study successfully demonstrates enhanced control over metal-to-insulator transitions and resistive switching properties in nickelates.
  • Electron correlation (U) primarily affects ground-state properties, while charge transfer gaps dictate phase stability and transition temperatures.