Temperature-dependent Structural and Spectroscopic Studies of (Bi1-xFex)FeO3

Andrea Kirsch, M. Mangir Murshed, Melanie J. Kirkham, Ashfia Huq, F. Jochen Litterst, Thorsten M. Gesing

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

Abstract

We report on temperature-dependent structural and spectroscopic features of (Bi1-xFex)FeO3 perovskite for x = 0.15 and 0.25. Samples were synthesized by heating quantum crystalline precursors obtained by the polyol method. Crystal structures of each composition were obtained from in-house X-ray, synchrotron X-ray, and time-of-flight neutron powder diffraction data Rietveld refinements. Partial replacement of the Bi site by the Fe3+ cation significantly changes the crystal physicochemical properties, such as thermal expansion, polyhedral distortion, Debye temperature, and vibrational and magnetic properties. Whereas BiFeO3 is multiferroic, both Bi0.85Fe0.15FeO3 and Bi0.75Fe0.25FeO3 are found to be superparamagnetic, as observed by temperature-dependent Mössbauer and SQUID measurements. Lattice thermal expansion was modeled using the Debye-Einstein-anharmonicity approach. Debye temperatures obtained from the mean-squared atomic displacement parameter and lattice thermal expansion are compared. Temperature dependence of selective Raman modes is also analyzed.

Original languageEnglish
Pages (from-to)28280-28291
Number of pages12
JournalJournal of Physical Chemistry C
Volume122
Issue number49
DOIs
StatePublished - Dec 13 2018

Funding

We gratefully acknowledge the magnetic measurements by Dr. Serhiy Demeshko and Prof. Dr. Franc Meyer (the University of Göttingen). NPD was conducted at ORNL’s Spallation Neutron Source sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. We thank the University of Bremen for the financial support for A.K. and M.M.M.

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