Influence of vacancies on the temperature-dependent magnetism of bulk Fe: A spin-lattice dynamics approach

Meyer, Robert B.; Santos, Gonzalo dos; Aparicio, Romina; Bringa, Eduardo M.; Urbassek, Herbert M.

doi:10.1016/j.cocom.2022.e00662

Cited by 6 publications

(10 citation statements)

References 29 publications

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“…Fe foams show a slight decrease of the Curie temperature and a significant increase of the critical exponent β with increasing surface atom fraction, n surf . These findings are in quali-tative agreement with previous results for vacancy-filled Fe crystals [25] and with novel data on void-filled crystals. The agreement is even quantitatively satisfactory for the Curie temperature.…”

Section: Discussionsupporting

confidence: 92%

“…While the Curie temperature is lowered slightly with increasing n surf , the critical exponent rises significantly to up to 1.4 times the predicted literature value for bulk Fe [31], β = 0.33. These results are qualitatively in line with previous results for defective Fe samples with vacancies by Meyer et al [25].…”

Section: A Temperature Dependencesupporting

confidence: 93%

“…We also compare our results on foam structures with the magnetic properties of bulk Fe samples filled with a predefined fraction of vacancies, n v [25]. Since each vacancy is surrounded by 8 Fe atoms, the surface atom fraction of vacancy-filled samples is determined as…”

Section: A Construction Of the Foams And Other Defective Structuresmentioning

confidence: 99%

“…In Fig. 6, the critical parameters, as obtained for foams and void-filled samples are compared with the data obtained for vacancy-filled samples [25] are plotted against n surf . While the foam data are quite well aligned on approximately linear dependencies on the surface atom fraction, n surf , the data for vacancy-filled samples show a larger scatter around the linear dependence.…”

Section: B Comparison To Data For Void-and Vacancy-filled Samplesmentioning

confidence: 99%

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Temperature-dependent magnetism in Fe foams via spin-lattice dynamics

Meyer¹,

Valencia²,

Santos³

et al. 2022

Preprint

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Spin-lattice dynamics is used to study the magnetic properties of Fe foams. The temperature dependence of the magnetization in foams is determined as a function of the fraction of surface atoms in foams, n surf . The Curie temperature of foams decreases approximately linearly with n surf , while the critical exponent of the magnetization increases considerably more strongly. If the data are plotted as a function of the fraction of surface atoms, reasonable agreement with recent data on vacancy-filled Fe crystals and novel data on void-filled crystals is observed for the critical temperature. Critical temperature and critical exponent also depend on the coordination of surface atoms. Although the decrease we find is relatively small, it hints to the possibility of improved usage of topology to taylor magnetic properties.

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Section: Discussionsupporting

confidence: 92%

Section: A Temperature Dependencesupporting

confidence: 93%

Section: A Construction Of the Foams And Other Defective Structuresmentioning

confidence: 99%

Section: B Comparison To Data For Void-and Vacancy-filled Samplesmentioning

confidence: 99%

See 2 more Smart Citations

Temperature-dependent magnetism in Fe foams via spin-lattice dynamics

Meyer¹,

Valencia²,

Santos³

et al. 2022

Preprint

Self Cite

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show abstract

“…In the present work we fit Eq. (3) to data by Ma et al [44], as it was already done in previous works [34,45]. Specifically, we use the following values: α = 96.0 meV, γ = 0.20, δ = 0.154 nm.…”

Section: A Sld Modelmentioning

confidence: 99%

Feasibility analysis towards the simulation of hysteresis with spin-lattice dynamics

dos Santos,

Romá,

Tranchida

et al. 2023

Phys. Rev. B

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We use spin-lattice dynamics simulations to study the possibility of modeling the magnetic hysteresis behavior of a ferromagnetic material. The temporal evolution of the magnetic and mechanical degrees of freedom is obtained through a set of two coupled Langevin equations. Hysteresis loops are calculated for different angles between the external field and the magnetocrystalline anisotropy axes. The influence of several relevant parameters is studied, including the field frequency, magnetic damping, magnetic anisotropy (magnitude and type), magnetic exchange, and system size. The role played by a moving lattice is also discussed. For a perfect bulk ferromagnetic system we find that, at low temperatures, the exchange and lattice dynamics barely affect the loops, while the field frequency and magnetic damping have a large effect on it. The influence of the anisotropy magnitude and symmetry are found to follow the expected behavior. We show that a careful choice of simulation parameters allows for an excellent agreement between the spin-lattice dynamics measurements and the paradigmatic Stoner-Wohlfarth model. Furthermore, we extend this analysis to intermediate and high temperatures for the perfect bulk system and for spherical nanoparticles, with and without defects, reaching values close to the Curie temperature. In this temperature range, we find that lattice dynamics has a greater role on the magnetic behavior, especially in the evolution of the defective samples. The present study opens the possibility for more accurate inclusion of lattice defects and thermal effects in hysteresis simulations.

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Modelling and simulation of fusion materials

Dudarev

2025

Fusion Energy Technology R&D Priorities

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Influence of vacancies on the temperature-dependent magnetism of bulk Fe: A spin-lattice dynamics approach

Cited by 6 publications

References 29 publications

Temperature-dependent magnetism in Fe foams via spin-lattice dynamics

Temperature-dependent magnetism in Fe foams via spin-lattice dynamics

Feasibility analysis towards the simulation of hysteresis with spin-lattice dynamics

Modelling and simulation of fusion materials

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