论文标题
磁性驱动的短距离顺序可以解释CRCONI中的异常测量
Magnetically driven short-range order can explain anomalous measurements in CrCoNi
论文作者
论文摘要
化学短距离顺序在多主体元素合金CRCONI中的存在，性质和影响都是当前感兴趣和辩论的主题。第一原理的计算表明，其起源在根本上是磁性的，涉及类似旋转的Co-Cr和Cr-Cr对之间的排斥，这是由磁性第二个最邻居CR原子的磁比对sublattice的形成所补充的。发现遵循这些原理的订购模型可以预测有关净磁化和原子体积的一系列组成范围的异常实验测量。除了证明磁相互作用和由此产生的化学重排的影响外，实验的可能解释还暗示，这种类型的短期顺序比以前所意识到的要普遍得多。
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.
