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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| Veröffentlicht in: | Functional Materials |
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| Datum: | 2012 |
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НТК «Інститут монокристалів» НАН України
2012
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| Zitieren: | Modeling of magnetic and magnetocaloric properties of La₀̣.₇Ba₀.₃MnO₃ manganites by Monte Carlo method / O. Pavlukhina, V. Buchelnikov, V. Sokolovskiy // Functional Materials. — 2012. — Т. 19, № 1. — С. 97-101. — Бібліогр.: 17 назв. — англ. |
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Pavlukhina, O. Buchelnikov, V. Sokolovskiy, V. 2018-06-14T18:16:12Z 2018-06-14T18:16:12Z 2012 Modeling of magnetic and magnetocaloric properties of La₀̣.₇Ba₀.₃MnO₃ manganites by Monte Carlo method / O. Pavlukhina, V. Buchelnikov, V. Sokolovskiy // Functional Materials. — 2012. — Т. 19, № 1. — С. 97-101. — Бібліогр.: 17 назв. — англ. 1027-5495 https://nasplib.isofts.kiev.ua/handle/123456789/135283 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. en НТК «Інститут монокристалів» НАН України Functional Materials Modeling and simulation Modeling of magnetic and magnetocaloric properties of La₀̣.₇Ba₀.₃MnO₃ manganites by Monte Carlo method Дослідження магнітних і магнітокалоричних властивостей манганітів лантану La₀̣.₇Ba₀.₃MnO₃ методом Монте-Карло Article published earlier |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| title |
Modeling of magnetic and magnetocaloric properties of La₀̣.₇Ba₀.₃MnO₃ manganites by Monte Carlo method |
| spellingShingle |
Modeling of magnetic and magnetocaloric properties of La₀̣.₇Ba₀.₃MnO₃ manganites by Monte Carlo method Pavlukhina, O. Buchelnikov, V. Sokolovskiy, V. Modeling and simulation |
| title_short |
Modeling of magnetic and magnetocaloric properties of La₀̣.₇Ba₀.₃MnO₃ manganites by Monte Carlo method |
| title_full |
Modeling of magnetic and magnetocaloric properties of La₀̣.₇Ba₀.₃MnO₃ manganites by Monte Carlo method |
| title_fullStr |
Modeling of magnetic and magnetocaloric properties of La₀̣.₇Ba₀.₃MnO₃ manganites by Monte Carlo method |
| title_full_unstemmed |
Modeling of magnetic and magnetocaloric properties of La₀̣.₇Ba₀.₃MnO₃ manganites by Monte Carlo method |
| title_sort |
modeling of magnetic and magnetocaloric properties of la₀̣.₇ba₀.₃mno₃ manganites by monte carlo method |
| author |
Pavlukhina, O. Buchelnikov, V. Sokolovskiy, V. |
| author_facet |
Pavlukhina, O. Buchelnikov, V. Sokolovskiy, V. |
| topic |
Modeling and simulation |
| topic_facet |
Modeling and simulation |
| publishDate |
2012 |
| language |
English |
| container_title |
Functional Materials |
| publisher |
НТК «Інститут монокристалів» НАН України |
| format |
Article |
| title_alt |
Дослідження магнітних і магнітокалоричних властивостей манганітів лантану La₀̣.₇Ba₀.₃MnO₃ методом Монте-Карло |
| description |
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.
|
| issn |
1027-5495 |
| url |
https://nasplib.isofts.kiev.ua/handle/123456789/135283 |
| citation_txt |
Modeling of magnetic and magnetocaloric properties of La₀̣.₇Ba₀.₃MnO₃ manganites by Monte Carlo method / O. Pavlukhina, V. Buchelnikov, V. Sokolovskiy // Functional Materials. — 2012. — Т. 19, № 1. — С. 97-101. — Бібліогр.: 17 назв. — англ. |
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2025-12-07T18:53:04Z |
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2025-12-07T18:53:04Z |
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