Magnetically driven short-range order can explain anomalous measurements in CrCoNi

Abstract

The presence, nature, and impact of chemical short-range order in the multi-principal element alloy CrCoNi are all topics of current interest and debate. First-principles calculations reveal that its origins are fundamentally magnetic, involving repulsion between like-spin Co-Cr and Cr-Cr pairs that is complemented by the formation of a magnetically aligned sublattice of second-nearest-neighbor Cr atoms. Ordering models following these principles are found to predict otherwise anomalous experimental measurements concerning both net magnetization and atomic volumes across a range of compositions. In addition to demonstrating the impact of magnetic interactions and resulting chemical rearrangement, the possible explanation of experiments would imply that short-range order of this type is far more prevalent than previously realized.

arXiv comment8 pages, 5 figures, and supporting information. Updated to published version

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Cited by in corpus (7)

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• Interplay between magnetism and short-range order in medium- and high-entropy alloys: CrCoNi, CrFeCoNi, and CrMnFeCoNi
• Dislocation plasticity in equiatomic NiCoCr alloys: The effect of short-range order
• A New Spin on Material Properties: Local Magnetic Structure in Functional and Quantum Materials
• Theoretical antiferromagnetism of ordered face-centered cubic Cr-Ni alloys
• Accelerating the discovery of low-energy structure configurations: a computational approach that integrates first-principles calculations, Monte Carlo sampling, and Machine Learning
• Dependence of simulated radiation damage on crystal structure and atomic misfit in metals