Effect of frustrated exchange interactions and spin-half-impurity on the electronic structure of strongly correlated NiFe2O4

Effect of frustrated exchange interactions and spin-half-impurity on the electronic structure of... Spin-polarized density functional calculations, magnetization, and neutron diffraction (ND) measurements are carried out to investigate the magnetic exchange interactions and strong correlation effects in Yb substituted inverse spinel nickel ferrite. In the pristine form, the compound is found to be a mixed insulator under the Zaanen-Sawatzky-Allen classification scheme as it features both charge transfer and Mott insulator mechanisms. Estimation of magnetic exchange couplings reveals that both octahedral-octahedral and octahedral-tetrahedral spin-spin interactions are antiferromagnetic. This is typical of a spin-frustrated triangular lattice with one of the vertices occupied by tetrahedral spins and the remaining two occupied by octahedral spins. However, since the octahedral-tetrahedral interaction is dominant, it leads to a forced parallel alignment of the spins at the octahedral site which is in agreement with the results of ND measurements. The substituent Yb is found to be settled in +3 charge state, as confirmed from the x-ray photoelectron spectroscopy measurements, to behave like a spin-half-impurity carried by the localized fz(x2−y2) orbital. The impurity f spin significantly weakens the antiferromagnetic coupling with the spins at the tetrahedral site, which explains the experimental observation of a decrease in Curie temperature with Yb substitution. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Effect of frustrated exchange interactions and spin-half-impurity on the electronic structure of strongly correlated NiFe2O4

Preview Only

Effect of frustrated exchange interactions and spin-half-impurity on the electronic structure of strongly correlated NiFe2O4

Abstract

Spin-polarized density functional calculations, magnetization, and neutron diffraction (ND) measurements are carried out to investigate the magnetic exchange interactions and strong correlation effects in Yb substituted inverse spinel nickel ferrite. In the pristine form, the compound is found to be a mixed insulator under the Zaanen-Sawatzky-Allen classification scheme as it features both charge transfer and Mott insulator mechanisms. Estimation of magnetic exchange couplings reveals that both octahedral-octahedral and octahedral-tetrahedral spin-spin interactions are antiferromagnetic. This is typical of a spin-frustrated triangular lattice with one of the vertices occupied by tetrahedral spins and the remaining two occupied by octahedral spins. However, since the octahedral-tetrahedral interaction is dominant, it leads to a forced parallel alignment of the spins at the octahedral site which is in agreement with the results of ND measurements. The substituent Yb is found to be settled in +3 charge state, as confirmed from the x-ray photoelectron spectroscopy measurements, to behave like a spin-half-impurity carried by the localized fz(x2−y2) orbital. The impurity f spin significantly weakens the antiferromagnetic coupling with the spins at the tetrahedral site, which explains the experimental observation of a decrease in Curie temperature with Yb substitution.
Loading next page...
 
/lp/aps_physical/effect-of-frustrated-exchange-interactions-and-spin-half-impurity-on-HimjNzP0Kt
Publisher
The American Physical Society
Copyright
Copyright © ©2017 American Physical Society
ISSN
1098-0121
eISSN
1550-235X
D.O.I.
10.1103/PhysRevB.96.035138
Publisher site
See Article on Publisher Site

Abstract

Spin-polarized density functional calculations, magnetization, and neutron diffraction (ND) measurements are carried out to investigate the magnetic exchange interactions and strong correlation effects in Yb substituted inverse spinel nickel ferrite. In the pristine form, the compound is found to be a mixed insulator under the Zaanen-Sawatzky-Allen classification scheme as it features both charge transfer and Mott insulator mechanisms. Estimation of magnetic exchange couplings reveals that both octahedral-octahedral and octahedral-tetrahedral spin-spin interactions are antiferromagnetic. This is typical of a spin-frustrated triangular lattice with one of the vertices occupied by tetrahedral spins and the remaining two occupied by octahedral spins. However, since the octahedral-tetrahedral interaction is dominant, it leads to a forced parallel alignment of the spins at the octahedral site which is in agreement with the results of ND measurements. The substituent Yb is found to be settled in +3 charge state, as confirmed from the x-ray photoelectron spectroscopy measurements, to behave like a spin-half-impurity carried by the localized fz(x2−y2) orbital. The impurity f spin significantly weakens the antiferromagnetic coupling with the spins at the tetrahedral site, which explains the experimental observation of a decrease in Curie temperature with Yb substitution.

Journal

Physical Review BAmerican Physical Society (APS)

Published: Jul 19, 2017

There are no references for this article.

Sorry, we don’t have permission to share this article on DeepDyve,
but here are related articles that you can start reading right now:

Explore the DeepDyve Library

Unlimited reading

Read as many articles as you need. Full articles with original layout, charts and figures. Read online, from anywhere.

Stay up to date

Keep up with your field with Personalized Recommendations and Follow Journals to get automatic updates.

Organize your research

It’s easy to organize your research with our built-in tools.

Your journals are on DeepDyve

Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.

All the latest content is available, no embargo periods.

See the journals in your area

Monthly Plan

  • Read unlimited articles
  • Personalized recommendations
  • No expiration
  • Print 20 pages per month
  • 20% off on PDF purchases
  • Organize your research
  • Get updates on your journals and topic searches

$49/month

Start Free Trial

14-day Free Trial

Best Deal — 39% off

Annual Plan

  • All the features of the Professional Plan, but for 39% off!
  • Billed annually
  • No expiration
  • For the normal price of 10 articles elsewhere, you get one full year of unlimited access to articles.

$588

$360/year

billed annually
Start Free Trial

14-day Free Trial