Theory meets experiment: insights into structure and magnetic properties of Fe$_{1-x}$Ni$_{x}$B alloy
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arXiv
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| Natura: | Preprint |
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2024
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| author | Bhaskar, Gourab Zhang, Zhen Mudryk, Yaroslav Bud'ko, Sergey L. Antropov, Vladimir P. Zaikina, Julia V. |
| author_facet | Bhaskar, Gourab Zhang, Zhen Mudryk, Yaroslav Bud'ko, Sergey L. Antropov, Vladimir P. Zaikina, Julia V. |
| contents | We studied the structural and magnetic properties of the solid solution Fe$_{1-x}$Ni$_{x}$B through theoretical and experimental approaches. Powder X-ray diffraction, X-ray Pair Distribution Function analysis, and energy dispersive X-ray spectroscopy reveal that the Fe$_{1-x}$Ni$_{x}$B solid solution crystallizes in the $β$-FeB structure type up to x = 0.6-0.7 and exhibits anisotropic unit cell volume contraction with increasing Ni concentration. Magnetic measurements showed a transition from ferromagnetism to paramagnetism around x = 0.7. For x = 0.5, the low (< 0.3 $μ_{B}$) magnetic moments suggest itinerant magnetism despite the relatively high Curie temperature (up to 225 K). Theoretical calculations indicated different types of magnetic orderings depending on the Fe/Ni atomic order, with the antiferromagnetic state being stable for ordered FeNiB$_{2}$, whereas the ground state is ferromagnetic for the disordered alloy. Calculations also predicted the coexistence of low- and high-spin states in Fe atoms around the composition with x=0.5, in line with the experimental evidence from $^{57}$Fe Mössbauer spectroscopy. The two magnetically distinct Fe sites for x = 0.3, 0.4, and 0.5 observed by $^{57}$Fe Mössbauer spectroscopy can also be interpreted as two magnetically different regions or clusters that could affect the critical behavior near a quantum magnetic transition based on a potential ferromagnetic quantum critical point identified computationally and experimentally near x=0.64. This work highlights the complex interplay between structure and magnetism in Fe$_{1-x}$Ni$_{x}$B alloys, suggesting areas for future research on quantum critical behavior. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2411_19029 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Theory meets experiment: insights into structure and magnetic properties of Fe$_{1-x}$Ni$_{x}$B alloy Bhaskar, Gourab Zhang, Zhen Mudryk, Yaroslav Bud'ko, Sergey L. Antropov, Vladimir P. Zaikina, Julia V. Materials Science We studied the structural and magnetic properties of the solid solution Fe$_{1-x}$Ni$_{x}$B through theoretical and experimental approaches. Powder X-ray diffraction, X-ray Pair Distribution Function analysis, and energy dispersive X-ray spectroscopy reveal that the Fe$_{1-x}$Ni$_{x}$B solid solution crystallizes in the $β$-FeB structure type up to x = 0.6-0.7 and exhibits anisotropic unit cell volume contraction with increasing Ni concentration. Magnetic measurements showed a transition from ferromagnetism to paramagnetism around x = 0.7. For x = 0.5, the low (< 0.3 $μ_{B}$) magnetic moments suggest itinerant magnetism despite the relatively high Curie temperature (up to 225 K). Theoretical calculations indicated different types of magnetic orderings depending on the Fe/Ni atomic order, with the antiferromagnetic state being stable for ordered FeNiB$_{2}$, whereas the ground state is ferromagnetic for the disordered alloy. Calculations also predicted the coexistence of low- and high-spin states in Fe atoms around the composition with x=0.5, in line with the experimental evidence from $^{57}$Fe Mössbauer spectroscopy. The two magnetically distinct Fe sites for x = 0.3, 0.4, and 0.5 observed by $^{57}$Fe Mössbauer spectroscopy can also be interpreted as two magnetically different regions or clusters that could affect the critical behavior near a quantum magnetic transition based on a potential ferromagnetic quantum critical point identified computationally and experimentally near x=0.64. This work highlights the complex interplay between structure and magnetism in Fe$_{1-x}$Ni$_{x}$B alloys, suggesting areas for future research on quantum critical behavior. |
| title | Theory meets experiment: insights into structure and magnetic properties of Fe$_{1-x}$Ni$_{x}$B alloy |
| topic | Materials Science |
| url | https://arxiv.org/abs/2411.19029 |