1. Magnetically driven short-range order can explain anomalous measurements in CrCoNi
- Author
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Robert O. Ritchie, Mark Asta, and Flynn Walsh
- Subjects
Materials science ,frustration ,Magnetism ,media_common.quotation_subject ,Alloy ,FOS: Physical sciences ,Frustration ,02 engineering and technology ,engineering.material ,01 natural sciences ,Magnetization ,0103 physical sciences ,2.1 Biological and endogenous factors ,010306 general physics ,high-entropy alloys ,short-range order ,media_common ,Range (particle radiation) ,Condensed Matter - Materials Science ,Multidisciplinary ,Condensed matter physics ,High entropy alloys ,Materials Science (cond-mat.mtrl-sci) ,021001 nanoscience & nanotechnology ,Order (biology) ,magnetism ,Physical Sciences ,Short range order ,engineering ,0210 nano-technology - 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., 8 pages, 5 figures, and supporting information. Updated to published version
- Published
- 2020