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Abstract For several transition metals M , we have computed atomic magnetic moments for the body-centered cubic substitutional solid solution Fe 1 - x M x , by two comparative… Click to show full abstract
Abstract For several transition metals M , we have computed atomic magnetic moments for the body-centered cubic substitutional solid solution Fe 1 - x M x , by two comparative first-principle approaches for atomic disorder: Korringa-Kohn-Rostoker Coherent Potential Approximation (KKR-CPA) and Density Functional Theory applied to Special Quasirandom Structures (SQS-DFT). Our results, compared with experimental and numerical literature, led to a classification of transition metal solutes in α -iron with respect to their magnetic behavior.
Keywords:
classification;
transition metal;
transition;
metal solutes;
solutes iron;
magnetic behavior
Journal Title: Journal of Magnetism and Magnetic Materials
Year Published: 2020
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Journal Title: Journal of Magnetism and Magnetic Materials
Year Published: 2020
Link to full text (if available)
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recommendations!