Local Crystal Structure of Antiferroelectric Bi₂Mn_4/3Ni_2/3O₆ in Commensurate and Incommensurate Phases Described by Pair Distribution Function (PDF) and Reverse Monte Carlo (RMC) Modeling.

ABSTRACT: The functional properties of materials can arise from local structural features that are not well determined or described by crystallographic methods based on long-range average structural models. The room temperature (RT) structure of the Bi perovskite Bi₂Mn_4/3Ni_2/3O₆ has previously been modeled as a locally polar structure where polarization is suppressed by a long-range incommensurate antiferroelectric modulation. In this study we investigate the short-range local structure of Bi₂Mn_4/3Ni_2/3O₆, determined through reverse Monte Carlo (RMC) modeling of neutron total scattering data, and compare the results with the long-range incommensurate structure description. While the incommensurate structure has e

SUBMITTER: Szczecinski RJ 

PROVIDER: S-EPMC4311938 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature