Multiferroic Bi2NiMnO6 thin films: A computational prediction

Oswaldo Diéguez and Jorge Íñiguez
Phys. Rev. B 95, 085129 – Published 21 February 2017

Abstract

We report first-principles calculations for one of the few materials that is believed to be a ferroelectric ferromagnet, Bi2NiMnO6. Our calculations show that, contrary to what has been reported so far, bulk Bi2NiMnO6 does not have a polarization. Instead, like BiMnO3, it crystallizes into a centrosymmetric structure with space group C2/c. We also predict that Bi2NiMnO6 will indeed be a ferroelectric ferromagnet if it is grown as an epitaxial film on a substrate with in-plane square symmetry and a lattice constant around 4 Å, such as BaTiO3 or PbZr1xTixO3.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Received 26 September 2016
  • Revised 20 December 2016

DOI:https://doi.org/10.1103/PhysRevB.95.085129

©2017 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Oswaldo Diéguez1,2 and Jorge Íñiguez3

  • 1Department of Materials Science and Engineering, Faculty of Engineering, Tel Aviv University, Tel Aviv 69978, Israel
  • 2The Raymond and Beverly Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 69978, Israel
  • 3Materials Research and Technology Department, Luxembourg Institute of Science and Technology, 5 avenue des Hauts-Fourneaux, L-4362 Esch/Alzette, Luxembourg

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 95, Iss. 8 — 15 February 2017

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×