English
 
User Manual Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT

Released

Journal Article

Origins of bond and spin order in rare-earth nickelate bulk and heterostructures

MPS-Authors
/persons/resource/persons126647

Haverkort,  Maurits W.
Maurits Haverkort, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

Locator
There are no locators available
Fulltext (public)
There are no public fulltexts available
Supplementary Material (public)
There is no public supplementary material available
Citation

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): 195117, pp. 1-5. doi:10.1103/PhysRevB.95.195117.


Cite as: http://hdl.handle.net/11858/00-001M-0000-002D-588A-0
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.