Skip to main content
Research Highlight | Materials Science

Orbital polarization and charge transfer in layered nickelates

In a study published in Physical Review B, researchers report calculations of resonant inelastic X-ray scattering spectra used to determine the unique features of reduced valence layered nickelates.

Scientific Achievement

By developing a new formalism for resonant inelastic x-ray scattering (RIXS) spectra, we are able to interpret unique features of reduced valence layered nickelates.

Significance and Impact

Cuprates and reduced valence nickelates are both superconducting. The question is whether they are related or not. Our work suggests that they indeed are.

Research Details

  • Our RIXS formalism is based on orbitally resolved density of states from density functional theory (DFT) and dynamical mean field theory (DMFT) calculations.
  • Calculations were done for RNiO2, R4Ni3O8, R4Ni3O10, and CaCuO2 (R a rare earth) and then compared to RIXS data.


Download this highlight

Argonne National Laboratory seeks solutions to pressing national problems in science and technology. The nation’s first national laboratory, Argonne conducts leading-edge basic and applied scientific research in virtually every scientific discipline. Argonne researchers work closely with researchers from hundreds of companies, universities, and federal, state and municipal agencies to help them solve their specific problems, advance America’s scientific leadership and prepare the nation for a better future. With employees from more than 60 nations, Argonne is managed by UChicago Argonne, LLC for the U.S. Department of Energy’s Office of Science.

The U.S. Department of Energy’s Office of Science is the single largest supporter of basic research in the physical sciences in the United States and is working to address some of the most pressing challenges of our time. For more information, visit https://​ener​gy​.gov/​s​c​ience.