The effect of Si doping on the magnetic and magneto-thermal properties of Al rich Al1.2-Si Fe2B2 intermetallic system

Hossain, Md Sakhawat; Stillwell, Kyra; Agabo, S.; Pathak, Arjun K.; Khan, Mahmud

doi:10.1016/j.jmmm.2023.170576

Cited by 3 publications

(1 citation statement)

References 26 publications

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“…Due to the limited solubility of Ga in Fe 2 AlB 2 and also thermodynamical instability of Fe 2 GaB 2 in an orthorhombic structure with respect to competing phases, our focus primarily revolves around concentrations where x ≤ 0.125 to reach realistic conclusions. This concentration range is particularly relevant as it aligns with the experimental concentration ranges available, ,,,, where the doped Fe 2 AlB 2 maintains the same crystal structure as the pristine structure. In Figure c, we specifically examine the disordered phases for Fe 2 Al 1– x Ga x B 2 with a composition of x = 0.125 and find that even without considering configurational entropy, the disordered phase is approximately 2 meV/atom more stable than the ordered phase.…”

Section: Resultssupporting

confidence: 58%

Exploring Doping Effects on Magnetocaloric, Magnetoelastic, and Magnetostriction Properties of Fe₂AlB₂: A First-Principles Study

Samanta,

Loh,

Çakır

2024

J. Phys. Chem. C

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Fe 2 AlB 2 boasts promising magnetocaloric properties and anisotropic magnetic behavior. This study explores the impact of elemental substitutions on its magnetic and magnetocaloric properties using density functional theory, the cluster expansion method, and Monte Carlo simulations. Results show that doping at Fe or B sites induces a rotation of the easy axis of magnetization and noticeably changes the magnitude of magnetic anisotropy energy. Predicted Curie temperatures are 308, 210, and 359 K for Fe 2 AlB 2 , Fe 2 GaB 2 , and Fe 2 SiB 2 , respectively. The magnetic entropy change exhibits anisotropic behavior, especially near the transition temperature. Interestingly, full substitution of Al with Ga or Si does not significantly enhance the magnetic entropy change, suggesting other factors play a dominant role in enhancing magnetocaloric properties of these materials. Therefore, our study delves into magnetostructural coupling and defect formation due to partial chemical substitutions. The C doping induces substantial lattice parameter changes, Si, Ga, and Ge doping improves magnetocaloric properties, while Cr and V doping reduces magnetostructural coupling. Antisite defect formation at the Al site are induced by Fe near Ga, Ge, and Si atoms, indicating enhanced defect formation and increased saturation magnetization. Fe 2 AlB 2 exhibits anisotropic features in its magnetoelastic constants and magnetostrictive coefficients. This implies that the material's response to changes in magnetic fields is contingent on the orientation of its crystal lattice, and, additionally, Fe 2 AlB 2 can experience expansion or contraction along distinct crystallographic directions in response to alterations in the magnetization direction.

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Section: Resultssupporting

confidence: 58%

Exploring Doping Effects on Magnetocaloric, Magnetoelastic, and Magnetostriction Properties of Fe₂AlB₂: A First-Principles Study

Samanta,

Loh,

Çakır

2024

J. Phys. Chem. C

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Magnetocaloric properties of bulk Fe2AlB2 synthesized by reactive hot isostatic pressing

da Igreja,

Tencé,

Chartier

et al. 2024

Journal of the European Ceramic Society

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Competing magnetic correlations and uniaxial anisotropy in ( Fe1−xMnx)2AlB2
Shiotani,
Waki,
Tabata
et al. 2024
Phys. Rev. Materials
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The effect of Si doping on the magnetic and magneto-thermal properties of Al rich Al1.2-Si Fe2B2 intermetallic system

Cited by 3 publications

References 26 publications

Exploring Doping Effects on Magnetocaloric, Magnetoelastic, and Magnetostriction Properties of Fe₂AlB₂: A First-Principles Study

Exploring Doping Effects on Magnetocaloric, Magnetoelastic, and Magnetostriction Properties of Fe₂AlB₂: A First-Principles Study

Magnetocaloric properties of bulk Fe2AlB2 synthesized by reactive hot isostatic pressing

Competing magnetic correlations and uniaxial anisotropy in ( Fe1−xMnx)2AlB2
Shiotani,
Waki,
Tabata
et al. 2024
Phys. Rev. Materials
0
0
0
0
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The effect of Si doping on the magnetic and magneto-thermal properties of Al rich Al1.2-Si Fe2B2 intermetallic system

Cited by 3 publications

References 26 publications

Exploring Doping Effects on Magnetocaloric, Magnetoelastic, and Magnetostriction Properties of Fe2AlB2: A First-Principles Study

Exploring Doping Effects on Magnetocaloric, Magnetoelastic, and Magnetostriction Properties of Fe2AlB2: A First-Principles Study

Magnetocaloric properties of bulk Fe2AlB2 synthesized by reactive hot isostatic pressing

Competing magnetic correlations and uniaxial anisotropy in ( Fe1−xMnx)2AlB2Shiotani, Waki, Tabata et al. 2024Phys. Rev. Materials0000View full textAdd to dashboardCite

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Exploring Doping Effects on Magnetocaloric, Magnetoelastic, and Magnetostriction Properties of Fe₂AlB₂: A First-Principles Study

Exploring Doping Effects on Magnetocaloric, Magnetoelastic, and Magnetostriction Properties of Fe₂AlB₂: A First-Principles Study

Competing magnetic correlations and uniaxial anisotropy in ( Fe1−xMnx)2AlB2
Shiotani,
Waki,
Tabata
et al. 2024
Phys. Rev. Materials
0
0
0
0
View full text Add to dashboard Cite