论文标题
基于价组合的高注射氧化物：设计和实践
High-Entropy Oxides Based on Valence Combinations: Design and Practice
论文作者
论文摘要
高渗透氧化物（HEO）是一种新的材料，可用于广泛的应用。设计HEO需要考虑几何兼容性和电平衡。但是，目前尚无可用的方法来系统地考虑这两个因素用于制造HEO的组成材料。在这里，我们提出了一个两步策略，首先根据取代阳离子的价组合将要探索的HEO系统首先分为多个子系统；然后在选择合适的取代阳离子时考虑几何兼容性。我们通过使用（5B0.2）O3钙钛矿作为模型系统来证明这种策略。我们证明该系统可以分为12个子系统。十个子系统形成了单相立方钙钛矿，而两个具有部分排序结构。单相的形成与Goldschmidt的公差因子相关，而订购结构的形成主要与阳离子价差相关。我们预计该策略适用于在其他系统中探索HEO。
High-entropy oxides (HEOs) are a new class of materials that are promising for a wide range of applications. Designing HEOs needs to consider both geometric compatibility and electrical equilibrium. However, there is currently no available method to systematically consider these two factors when selecting constituent materials for making HEOs. Here we propose a two-step strategy, where a HEO system to be explored is first partitioned into multiple subsystems based on the valence combinations of substituted cations; the geometric compatibility is then considered in selecting suitable substituted cations. We demonstrate this strategy by using A(5B0.2)O3 perovskite as a model system. We show that the system can be partitioned into 12 subsystems. Ten of the subsystems have formed a single-phase cubic perovskite, while two have partially ordering structure. The formation of single phases is correlated to Goldschmidt's tolerance factor, while the formation of the ordering structure is mainly correlated to cation-valence difference. We anticipate that this strategy is applicable to exploring HEOs in other systems.
