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Modeling of magnetic and magnetocaloric properties of La₀̣.₇Ba₀.₃MnO₃ manganites by Monte Carlo method
In the work the temperature dependence of magnetization, entropy changes, and the Curie temperature of La₀̣.₇Ba₀.₃MnO₃ using Monte Carlo method and Heisenberg model were investigated. We used the magnetic exchange parameters from the first-principles calculations. In the simulation, magnetic Mn³ᐩ an...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
НТК «Інститут монокристалів» НАН України
2012
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| Series: | Functional Materials |
| Subjects: | |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/135283 |
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| Summary: | In the work the temperature dependence of magnetization, entropy changes, and the Curie temperature of La₀̣.₇Ba₀.₃MnO₃ using Monte Carlo method and Heisenberg model were investigated. We used the magnetic exchange parameters from the first-principles calculations. In the simulation, magnetic Mn³ᐩ and Mn⁴ᐩ ions are described by classical Heisenberg spins, while oxygen, lanthanum and calcium ions are considered as non-magnetic. Mn magnetic ions are distributed on R3c lattice according to the perovskite structure of the manganite. The Curie temperature and magnetocaloric effect values obtained during the theoretical simulations are in a good agreement with the experimental data. |
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