论文标题
在熵稳定的氧化物（Mg，Co，Ni，Cu，Zn）O上的弹性各向异性上
On the Elastic Anisotropy of the Entropy-Stabilized Oxide (Mg, Co, Ni, Cu, Zn)O
论文作者
论文摘要
在本文中，我们使用实验和第一原理技术研究了熵稳定的氧化物（Mg，Co，Ni，Cu，Zn）O的弹性特性。我们测量在粒度上具有透明型稳定氧化物的晶粒方向的凹痕模量，在环境条件下显示出高度的弹性各向同性。第一原理计算可以预测顺磁性结构的轻度弹性各向异性，当系统被认为是非磁性时，该计算会降低。当计算中考虑了COO，CUO和NIO的抗磁性状态时，观察到弹性各向异性的略有增加，这表明磁有序和方向依赖性弹性特性之间的耦合。此外，对局部结构的检查表明，由于局部离子扭曲和Zn的局部离子畸变，由于它们趋于形成田诺和wurtzite相，因此受到了局部离子畸变的青睐。回顾了多组分氧化物的弹性性能与其组成二元氧化物的弹性性能之间的关系。这些见解为通过调整熵氧化物或高熵化合物中的调整组成和结构来控制技术应用的新途径。
In this paper, we study the elastic properties of the entropy-stabilized oxide (Mg, Co, Ni, Cu, Zn)O, using experimental and first principles techniques. Our measurements of the indentation modulus on grains with a wide range of crystallographic orientations of the entropy-stabilized oxide revealed a high degree of elastic isotropy at ambient conditions. First principles calculations predict mild elastic anisotropy for the paramagnetic structure, which decreases when the system is considered to be non-magnetic. When the antiferromagnetic state of CoO, CuO and NiO is accounted for in the calculations, a slight increase in the elastic anisotropy is observed, suggesting a coupling between magnetic ordering and the orientation dependent elastic properties. Furthermore, an examination of the local structure reveals that the isotropy is favored through local ionic distortions of Cu and Zn - due to their tendency to form tenorite and wurtzite phases. The relationships between the elastic properties of the multicomponent oxide and those of its constituent binary oxides are reviewed. These insights open up new avenues for controlling isotropy for technological applications through tuning composition and structure in the entropy-stabilized oxide or the high entropy compounds in general.
