High entropy semiconductor alloys

我们致力于建立一类新的化合物半导体材料--“高熵半导体合金”(HESA)。我们将制作一系列多元，主要是五元化合物氧化物半导体作为薄膜，以研究“高熵”概念在半导体合金中的适用性。为了最大限度地发挥实验工作的影响，我们将开发和应用改进的机器学习模型，该模型是在多组分合金的DFT团簇扩展计算数据库上训练的。主要目的是为实验提供指导，并对HESA的合成和功能性质有新的认识。

We strive to establish a new class of compound semiconductor materials, "high entropy semiconductor alloys" (HESA). We will fabricate an array of multinary, mostly quintenary, compound oxide semiconductors as thin films in order to investigate the suitability of the "high entropy" concept with regard to semiconductor alloys. To maximize the impact of the experimental effort, we will develop and apply improved machine-learning models trained on a database of DFT cluster expansion calculations for multi-component alloys. The main goal is to provide guidance to experiments and gain new insight into the synthesis and functional properties of HESAs.