Analysis of Microstructural, Electronic and Magnetic Properties of Nanocrystalline Compound Sm2ZrCo16: Effects of Annealing Temperature and Role of Intergranular Exchange Coupling.
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| Název: | Analysis of Microstructural, Electronic and Magnetic Properties of Nanocrystalline Compound Sm2ZrCo16: Effects of Annealing Temperature and Role of Intergranular Exchange Coupling. |
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| Autoři: | Fersi, R.1 (AUTHOR) riadh.fersi@fst.utm.tn, Reinhold, A.2 (AUTHOR), Pereira, A.3 (AUTHOR), Dalia, A.P.4 (AUTHOR) |
| Zdroj: | Journal of Magnetism & Magnetic Materials. Aug2025, Vol. 626, pN.PAG-N.PAG. 1p. |
| Témata: | *EXCHANGE interactions (Magnetism), *MAGNETIC structure, *MAGNETIC domain, *MAGNETIC materials, *MAGNETIC properties |
| Abstrakt: | [Display omitted] • Investigated the Effects of Annealing Temperature: Analyzed how varying annealing temperatures impact the microstructural, electronic, and magnetic properties of nanocrystalline Sm 2 ZrCo 16 alloys. • Advanced Theoretical Analysis: Utilized Density Functional Theory (DFT) with the Wien2k code to explore the electronic structure, magnetic behavior, and exchange interactions, predicting a strong ferromagnetic character. • Mean-Field Theory (MFT) Application:Estimated the Curie temperature (T p) using MFT based on exchange interactions, with computations performed using a custom Python code. • Optimization of Magnetic Properties: Identified the optimal annealing temperature (T a) for maximizing coercivity (H a) at 29,632 Oe, balancing grain size and intergranular exchange coupling (IGEC) for enhanced magnetic anisotropy. • Novel Insights into Intergranular Exchange Coupling (IGEC):Demonstrated how IGEC contributes to improved magnetic performance and stability, providing new perspectives for designing high-performance nanostructured magnetic materials. • Potential for High-Performance Applications: The findings suggest strategies for optimizing the magnetic properties of Sm 2 ZrCo 16 , with implications for the development of advanced permanent magnets and magnetic storage materials. In this study, we investigated the microstructural, electronic, and magnetic properties of nanocrystalline Sm2ZrCo16 alloys. This compound adopts a trigonal structure with a space group P3̅m1 [164] and exhibits a Curie temperature TC of approximately 798 K. Quantitative analysis of the electronic structure, magnetic structure, exchange interactions (Jij), and band structure was performed using Density Functional Theory (DFT) calculations implemented in the Wien2k code. DFT calculations predicted a density of states indicating a pronounced ferromagnetic behavior. The mean-field theory (MFT) method was used to estimate the Curie temperature (T C) from the exchange interactions (J ij) obtained between different atoms, with an implementation of MFT in a Python code. We analyzed the influence of the annealing temperature (Ta) on the magnetic performances of these samples, with the main objective of identifying the mechanisms responsible for the improvement of the magnetic properties as a function of Ta. An analysis of the intergranular exchange coupling (IGEC) and grain size revealed that the coercivity (HC) reaches a maximum value of 29632 Oe at Ta = 898 K. This improvement is attributed to grain size optimization and enhanced IGEC, which improves magnetic anisotropy and resistance to magnetic domain reversion. However, higher annealing temperatures result in excessive grain growth, leading to a decrease in coercivity (HC). The novelty of this work lies in the precise identification of annealing conditions to maximize the magnetic properties of this compound, while exploring the crucial role of IGEC in these improvements. This research opens new perspectives for the design of high-performance nanostructured magnetic materials based on the Sm2ZrCo16 alloy. [ABSTRACT FROM AUTHOR] |
| Databáze: | Academic Search Index |
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Nájsť tento článok vo Web of Science | Abstrakt: | [Display omitted] • Investigated the Effects of Annealing Temperature: Analyzed how varying annealing temperatures impact the microstructural, electronic, and magnetic properties of nanocrystalline Sm 2 ZrCo 16 alloys. • Advanced Theoretical Analysis: Utilized Density Functional Theory (DFT) with the Wien2k code to explore the electronic structure, magnetic behavior, and exchange interactions, predicting a strong ferromagnetic character. • Mean-Field Theory (MFT) Application:Estimated the Curie temperature (T p) using MFT based on exchange interactions, with computations performed using a custom Python code. • Optimization of Magnetic Properties: Identified the optimal annealing temperature (T a) for maximizing coercivity (H a) at 29,632 Oe, balancing grain size and intergranular exchange coupling (IGEC) for enhanced magnetic anisotropy. • Novel Insights into Intergranular Exchange Coupling (IGEC):Demonstrated how IGEC contributes to improved magnetic performance and stability, providing new perspectives for designing high-performance nanostructured magnetic materials. • Potential for High-Performance Applications: The findings suggest strategies for optimizing the magnetic properties of Sm 2 ZrCo 16 , with implications for the development of advanced permanent magnets and magnetic storage materials. In this study, we investigated the microstructural, electronic, and magnetic properties of nanocrystalline Sm2ZrCo16 alloys. This compound adopts a trigonal structure with a space group P3̅m1 [164] and exhibits a Curie temperature TC of approximately 798 K. Quantitative analysis of the electronic structure, magnetic structure, exchange interactions (Jij), and band structure was performed using Density Functional Theory (DFT) calculations implemented in the Wien2k code. DFT calculations predicted a density of states indicating a pronounced ferromagnetic behavior. The mean-field theory (MFT) method was used to estimate the Curie temperature (T C) from the exchange interactions (J ij) obtained between different atoms, with an implementation of MFT in a Python code. We analyzed the influence of the annealing temperature (Ta) on the magnetic performances of these samples, with the main objective of identifying the mechanisms responsible for the improvement of the magnetic properties as a function of Ta. An analysis of the intergranular exchange coupling (IGEC) and grain size revealed that the coercivity (HC) reaches a maximum value of 29632 Oe at Ta = 898 K. This improvement is attributed to grain size optimization and enhanced IGEC, which improves magnetic anisotropy and resistance to magnetic domain reversion. However, higher annealing temperatures result in excessive grain growth, leading to a decrease in coercivity (HC). The novelty of this work lies in the precise identification of annealing conditions to maximize the magnetic properties of this compound, while exploring the crucial role of IGEC in these improvements. This research opens new perspectives for the design of high-performance nanostructured magnetic materials based on the Sm2ZrCo16 alloy. [ABSTRACT FROM AUTHOR] |
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| ISSN: | 03048853 |
| DOI: | 10.1016/j.jmmm.2025.173085 |