Shaping the Magnetic Properties of BaFeO3 Perovskite-Type by Alkaline-Earth Doping

The alkaline-earth iron perovskites AFeO3 are interesting materials since their ferromagnetic domains could be controlled by an applied magnetic field. However, to be exploited for applications, there are still some flaws related to their antiferromagnetic or ferromagnetic behavior at low temperatures. In our work, we have attempted to synthesize pristine BaFeO3 with Ba to partially or fully substitute Sr or Ca in order to tailor the magnetic properties of the host compound as expected for applications. We found that powders of (Ca/Sr/Ba) FeO3 showed an increased enhancement of magnetic properties in comparison to BaFeO3 films. In particular, the (Ca/Sr)0.5Ba0.5FeO3 nanopowders have demonstrated a Curie temperature well above room temperature along with an increased magnetic moment. A considerable coercivity is also surprisingly obtained as a typical signature for a hard magnetic material. First-principles calculations were performed to get an insight into the Ca/Sr influence on the lattice structure, and...

[1]  B. Dabrowski,et al.  Competing exchange bias and field-induced ferromagnetism in La-doped BaFe O 3 , 2017 .

[2]  F. Ciucci,et al.  A DFT+U study of A-site and B-site substitution in BaFeO3-δ. , 2015, Physical chemistry chemical physics : PCCP.

[3]  J. Kitchin,et al.  Effects of Concentration, Crystal Structure, Magnetism, and Electronic Structure Method on First-Principles Oxygen Vacancy Formation Energy Trends in Perovskites , 2014 .

[4]  H. Hwang,et al.  BaFeO3 cubic single crystalline thin film: A ferromagnetic insulator , 2013 .

[5]  S. Goumri‐Said,et al.  The origin of magnetism in transition metal-doped ZrO2 thin films: experiment and theory , 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

[6]  M. Kurisu,et al.  Room temperature ferromagnetism with large magnetic moment at low field in rare-earth-doped BiFeO3 thin films , 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

[7]  D. Norton,et al.  Ferromagnetism in pseudocubic BaFeO3 epitaxial films , 2008 .

[8]  R Ramesh,et al.  Multiferroic BaTiO3-CoFe2O4 Nanostructures , 2004, Science.

[9]  J. Sakai,et al.  Effects of Ba doping on physical properties of La–Ca–Mn–O thin films , 2003 .

[10]  Ilenia Rossetti,et al.  Catalytic combustion of hydrocarbons over perovskites , 2002 .

[11]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[12]  Kresse,et al.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.

[13]  Blöchl,et al.  Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.

[14]  P. Hagenmuller,et al.  Structural aspects and Mössbauer resonance investigation of Ba2Fe2O5 , 1990 .

[15]  H. Müller-Buschbaum,et al.  Zur Verbindungsbildung MO : M2O3 Eine neue From von BaFe2O4 mit aufgefüllter Tridymitstruktur , 1986 .

[16]  Yutaka Sugita,et al.  Hard-Bubble-Free Garnet Epitaxial Films: The Garnet-Permalloy Composite Structure , 1973 .

[17]  S. Mori.  Magnetic Properties of Several Phases of Barium Orthoferrate, BaFeO x , 1970 .