Magnetic properties and electronic structure of Bi 0.75 Sm 0.25 FeO 3 multiferroic
| Autor: | K. I. Yanushkevich, I. I. Makoed, Vera Lazenka, A.I. Galyas, A. F. Ravinski, V. V. Triguk, V. V. Moshchalkov, О.F. Demidenko |
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| Rok vydání: | 2018 |
| Předmět: |
010302 applied physics
Materials science Magnetic moment Condensed matter physics Materials Science (miscellaneous) 02 engineering and technology Electronic structure 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Electronic Optical and Magnetic Materials Condensed Matter::Materials Science Magnetization 0103 physical sciences Materials Chemistry Antiferromagnetism Condensed Matter::Strongly Correlated Electrons Multiferroics Density functional theory 0210 nano-technology Electronic band structure Spin-½ |
| Zdroj: | Computational Condensed Matter. 14:15-19 |
| ISSN: | 2352-2143 |
| Popis: | Room temperature multiferroic Bi0.75Sm0.25FeO3 samples were synthesized using a solid-state reaction method under high-pressure conditions (∼4 GPA). The calculations of band structure, electronic and spin densities distribution of Bi0.75Sm0.25FeO3 multiferroic were performed using the local spin-density approximation plus Hubbard U (LSDA+U) method in the framework of density functional theory. The calculations took into account a collinear antiferromagnetic ordering of the Fe and Sm magnetic moments. Temperature and field dependencies of the specific magnetization were investigated and correlated to the electronic structure of the multiferroic sample. |
| Databáze: | OpenAIRE |
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