| Autor: |
Ouichou, H., Dahbi, S., Tahiri, N., Jabar, A., El Bounagui, O., Ez-Zahraouy, H. |
| Předmět: |
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| Zdroj: |
Modern Physics Letters B; 7/20/2024, Vol. 38 Issue 20, p1-15, 15p |
| Abstrakt: |
The structural, electronic, magnetic, magnetocaloric, and thermoelectric properties of the SrXO3 (X = Mn and Fe) perovskite compounds were investigated using first-principles calculations. It was observed that the SrXO3 compounds are G-anti-ferromagnetic perovskites with partial magnetic moment with a value of 2.7 μ B and 2.4 μ B for Mn-3d and Fe-3d orbitals for SrMnO3 and SrFeO3, respectively. Moreover, by using Monte Carlo simulation (MCs) combined with the Metropolis algorithm, the calculated coupling interactions between the magnetic atoms Mn–Mn and Fe–Fe are J 1 Mn = 5. 1 7 meV and J 2 Mn = − 0. 6 meV for SrMnO3, J 1 Fe = 3. 4 4 meV and J 1 Fe = − 0. 4 meV for SrFeO3, respectively. Furthermore, a significant magnetocaloric effect (MCE) was observed around the Néel temperature of T N Mn = 2 6 0 K (for SrMnO3) and T N Fe = 1 3 4 K (for SrFeO3), and the maximal simulated magnetic entropy and relative cooling power values of all the studied compounds are found to be 100 J/kg (for SrMnO3) and 110 J/kg (for SrFeO3), respectively, with an applied magnetic field of H = 4. 0 T. These results are in complete agreement with the experimental results and more specifics than other theoretical calculations. Hence, SrXO3 compounds are considered promising candidates for magnetic refrigeration at low temperature. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
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