“…Advanced soft magnetic materials used in motors, transformers, and filter inductors can enable low-carbon-footprint transportation systems [1][2][3][4][5]. Of interest for this work, among others, are complex metal-amorphous nanocomposite Co-based alloys that include other constituent elements, such as Fe, Mn, B, Si, and Nb [6][7][8]. The alloys begin as an amorphous ribbon, which is annealed to produce fine nanocrystallites embedded within an amorphous matrix.…”
Section: Introductionmentioning
confidence: 99%
“…An initial analysis of Co 78−x Fe 2 Mn x B 1 4Si 2 Nb 4 alloys, where 0.5 ≤ x ≤ 6, via transmission electron microscopy and ferromagnetic resonance showed evidence that the nanocrystallites were formed in both the hexagonal close-packed (HCP) and face-centered cubic (FCC) crystallographic phases [6], despite the tendency of bulk Co to be stable in the HCP phase at room temperature [10]. Further experimental work with this type of material has focused on certain magnetic and crystallographic behaviors, particularly as concentrations of the alloying elements change [6][7][8]. This work will focus on the theoretical analysis of the structural behavior of the Co-rich nanocrystallites.…”
Section: Introductionmentioning
confidence: 99%
“…This work will focus on the theoretical analysis of the structural behavior of the Co-rich nanocrystallites. As many of the constituent elements remain in the amorphous phase and are not part of the nanocrystallite system, specific attention will be paid to a Co 1−x Mn x binary alloy system to determine the influence, if any, of Mn doping on the stability of the two primary crystallographic phases of Co. We have chosen to focus on Mn as the dopant due to experimental observations made by Koenig et al [7] and Nakarmi et al [8]. Additionally, the magnetic behavior of Mn as a dopant in Co is sensitive to composition, as noted by Stepanyuk et al [11].…”
We report on the results of first principles calculations investigating the influences of Mn doping on the local moments and stacking fault energies (SFEs) in the Co95.8Mn4.2 and Co91.6Mn8.4 systems as compared to pure face-centered cubic Co. A supercell was developed to maintain periodicity in calculations, provide a simple relaxation mechanism, and allow for easy expansion to accommodate different concentrations of Mn. Calculations to determine the generalized SFE were performed on relaxed and non-relaxed systems in both ferromagnetic and nonmagnetic states. Analysis revealed fluctuations in the magnetic moments that are closely tied to the relaxation state and faulting state of the system. In the case of systems containing Mn, we observed a dependence of the SFE on the location of the Mn atom(s) within the supercell relative to the stacking fault interface and a strong induced magnetic moment for these atoms.
“…Advanced soft magnetic materials used in motors, transformers, and filter inductors can enable low-carbon-footprint transportation systems [1][2][3][4][5]. Of interest for this work, among others, are complex metal-amorphous nanocomposite Co-based alloys that include other constituent elements, such as Fe, Mn, B, Si, and Nb [6][7][8]. The alloys begin as an amorphous ribbon, which is annealed to produce fine nanocrystallites embedded within an amorphous matrix.…”
Section: Introductionmentioning
confidence: 99%
“…An initial analysis of Co 78−x Fe 2 Mn x B 1 4Si 2 Nb 4 alloys, where 0.5 ≤ x ≤ 6, via transmission electron microscopy and ferromagnetic resonance showed evidence that the nanocrystallites were formed in both the hexagonal close-packed (HCP) and face-centered cubic (FCC) crystallographic phases [6], despite the tendency of bulk Co to be stable in the HCP phase at room temperature [10]. Further experimental work with this type of material has focused on certain magnetic and crystallographic behaviors, particularly as concentrations of the alloying elements change [6][7][8]. This work will focus on the theoretical analysis of the structural behavior of the Co-rich nanocrystallites.…”
Section: Introductionmentioning
confidence: 99%
“…This work will focus on the theoretical analysis of the structural behavior of the Co-rich nanocrystallites. As many of the constituent elements remain in the amorphous phase and are not part of the nanocrystallite system, specific attention will be paid to a Co 1−x Mn x binary alloy system to determine the influence, if any, of Mn doping on the stability of the two primary crystallographic phases of Co. We have chosen to focus on Mn as the dopant due to experimental observations made by Koenig et al [7] and Nakarmi et al [8]. Additionally, the magnetic behavior of Mn as a dopant in Co is sensitive to composition, as noted by Stepanyuk et al [11].…”
We report on the results of first principles calculations investigating the influences of Mn doping on the local moments and stacking fault energies (SFEs) in the Co95.8Mn4.2 and Co91.6Mn8.4 systems as compared to pure face-centered cubic Co. A supercell was developed to maintain periodicity in calculations, provide a simple relaxation mechanism, and allow for easy expansion to accommodate different concentrations of Mn. Calculations to determine the generalized SFE were performed on relaxed and non-relaxed systems in both ferromagnetic and nonmagnetic states. Analysis revealed fluctuations in the magnetic moments that are closely tied to the relaxation state and faulting state of the system. In the case of systems containing Mn, we observed a dependence of the SFE on the location of the Mn atom(s) within the supercell relative to the stacking fault interface and a strong induced magnetic moment for these atoms.
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