Multidomains made of different structural phases in multiferroic BiFeO3: A first-principles-based study

Dawei Wang, Ekhard K. H. Salje, Shao-Bo Mi, Chun-Lin Jia, and L. Bellaiche
Phys. Rev. B 88, 134107 – Published 21 October 2013

Abstract

An effective Hamiltonian scheme is used to reveal the properties of a multidomain structure in BiFeO3 consisting of alternating domains that are initially made of two phases, namely, R3c (ferroelectric with antiphase oxygen octahedral tilting) versus Pnma (antiferroelectric with in-phase and antiphase oxygen octahedral tiltings). These two types of domains dramatically modify their properties as a result of their cohabitation. The weak ferromagnetic vector and polarization rotate, and significantly change their magnitude, in the R3c-like region, while the Pnma-like region becomes polar along the direction of domain propagation. Moreover, the domain walls possess distinct polar and oxygen octahedral tilting patterns that facilitate the transition between these two regions. The studied multidomain is also predicted to exhibit other anomalous properties, such as its strain adopting several plateaus and steps when increasing the magnitude of an applied electric field.

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  • Received 9 March 2013

DOI:https://doi.org/10.1103/PhysRevB.88.134107

©2013 American Physical Society

Authors & Affiliations

Dawei Wang1,*, Ekhard K. H. Salje2, Shao-Bo Mi1,3, Chun-Lin Jia1,4, and L. Bellaiche5

  • 1Electronic Materials Research Laboratory–Key Laboratory of the Ministry of Education and International Center for Dielectric Research, Xi'an Jiaotong University, Xi'an 710049, China
  • 2Department of Earth Sciences, University of Cambridge, Cambridge CB2 3EQ, United Kingdom
  • 3Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
  • 4Peter Grünberg Institute and Ernst Ruska Center for Microscopy and Spectroscopy with Electrons, Forschungszentrum Jülich, D-52425 Jülich, Germany
  • 5Physics Department and Institute for Nanoscience and Engineering, University of Arkansas, Fayetteville, Arkansas 72701, USA

  • *dawei.wang@mail.xjtu.edu.cn

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Issue

Vol. 88, Iss. 13 — 1 October 2013

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