Structural properties of multiferroic 0.5BiFeO3–0.5Pb(Fe0.5Nb0.5)O3 solid solution
| Autor: | J. Maurin, Agata Stoch, Paweł Stoch, Jan Kulawik |
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| Rok vydání: | 2017 |
| Předmět: |
Materials science
Magnetic moment Condensed matter physics Ab initio 02 engineering and technology Crystal structure 021001 nanoscience & nanotechnology 01 natural sciences Condensed Matter::Materials Science Ab initio quantum chemistry methods 0103 physical sciences Materials Chemistry Ceramics and Composites Multiferroics 010306 general physics 0210 nano-technology Hyperfine structure Solid solution Perovskite (structure) |
| Zdroj: | Journal of the European Ceramic Society. 37:1467-1476 |
| ISSN: | 0955-2219 |
| Popis: | Magnetoelectric multiferroics are very promising materials because of their practical applications and fundamental interests. The most widely studied magnetoelectric oxides are ABO 3 perovskites. In the paper structural properties of BiFeO 3 and Pb(Fe 0.5 Nb 0.5 )O 3 solid solution are described. The material crystallizes in rhombohedral R3c crystal structure which parameters are presented. Mossbauer spectroscopy was used to study local changes in an iron environment due to Fe/Nb substitution and hyperfine interaction parameters of different local surroundings of iron atoms are presented. The random distribution of B-site sublattice cations was confirmed. Ab initio calculations of the studied solid solution were conducted and theoretical crystal structure parameters were compared with the experimental data. The theoretical magnetic and electric properties are discussed. The local iron magnetic moments were estimated and their dependence on the local surrounding changes is shown. The calculated electrons densities and Bader's topological analysis were used to describe chemical bonding properties. |
| Databáze: | OpenAIRE |
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