Origins of bond and spin order in rare-earth nickelate bulk and heterostructures
Lu Y, Zhong Z, Haverkort MW, Hansmann P (2017)
Publication Type: Journal article
Publication year: 2017
Journal
Book Volume: 95
Journal Issue: 19
DOI: 10.1103/PhysRevB.95.195117
Abstract
We analyze the charge- and spin-response functions of rare-earth nickelates RNiO3 and their heterostructures using random-phase approximation in a two-band Hubbard model. The interorbital charge fluctuation is found to be the driving mechanism for the rock-salt-type bond order in bulk RNiO3, and good agreement of the ordering temperature with experimental values is achieved for all RNiO3 using realistic crystal structures and interaction parameters. We further show that magnetic ordering in bulk is not driven by the spin fluctuation and should be instead explained as ordering of localized moments. This picture changes for low-dimensional heterostructures, where the charge fluctuation is suppressed and overtaken by the enhanced spin instability, which results in a spin-density-wave ground state observed in recent experiments. Predictions for spectroscopy allow for further experimental testing of our claims.
Authors with CRIS profile
Involved external institutions
Max-Planck-Institut für Festkörperforschung
Germany (DE)
Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS) / Max Planck Institute for Chemical Physics of Solids
Germany (DE)
Germany (DE)
Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS) / Max Planck Institute for Chemical Physics of Solids
Germany (DE)
How to cite
APA:
Lu, Y., Zhong, Z., Haverkort, M.W., & Hansmann, P. (2017). Origins of bond and spin order in rare-earth nickelate bulk and heterostructures. Physical Review B, 95(19). https://doi.org/10.1103/PhysRevB.95.195117
MLA:
Lu, Yi, et al. "Origins of bond and spin order in rare-earth nickelate bulk and heterostructures." Physical Review B 95.19 (2017).
BibTeX: Download