Micro-to-nano domain structure and orbital hybridization in rare-earth-doped BiFeO3 across morphotropic phase boundary

Authors

V. Hugo Schmidt

Publication

Journal of the American Ceramic Society

Abstract

This work demonstrates the critical role of orbital hybridizations in the FeO6 octahedral distortion, composition-driven phase transition, and bonding covalency in multiferroic (Bi1?xSmx)FeO3 (x = 0.10-0.20) ceramics in the vicinity of the morphotropic phase boundary (MPB). Sequential composition-driven transitions from the polar rhombohedral R3c to antipolar orthorhombic Pbam and then Pnma phases were revealed as the system crosses the MPB with increasing Sm. A coexistence of ferroelectric (FE) rhombohedral R3c and antiferroelectric (AFE) PbZrO3-like orthorhombic Pbam symmetries was identified by the 1/2{000}, 1/4{100}, 1/4{110}, 1/4{111}, and 1/4{121} superlattice diffractions at x = 0.12-0.16. In addition to R3c and Pbam space groups, the nonpolar SmFeO3-like orthorhombic Pnma space group becomes the predominant phase at x = 0.20 confirmed by the 1/2{100} superlattice diffractions. The Fe L3-edge and oxygen K-edge synchrotron X-ray absorptions indicate that the O 2p–Fe 3d and O 2p–Bi 6s/6p orbital hybridizations were decreased as the system approaches the MPB.

Links

 

How is this information collected?

This collection of Montana State authored publications is collected by the Library to highlight the achievements of Montana State researchers and more fully understand the research output of the University. They use a number of resources to pull together as complete a list as possible and understand that there may be publications that are missed. If you note the omission of a current publication or want to know more about the collection and display of this information email Leila Sterman.