Two-dimensional (2D) materials have attracted considerable interests due to their outstanding electromechanical and optoelectronic properties. Although extensive efforts have been made on exploring novel 2D materials and their properties, individual constituent can hardly offer all required properties for practical applications in nano-electronics. Lateral hetero-superlattices consisting of distinct 2D crystals can provide an effective strategy to integrate the superiority of each individual constituent. In this work, we propose two types of novel lateral hetero-superlattices constructed by alternating aligned CuO and FeO lattices. We intend to report their structural, mechanical, electronic and spin properties by means of density functional theory based calculations. It is found that the lattice parameters of both CuO and FeO monolayers depend on the spin alignments in Cu and Fe atoms. CuO–FeO lateral superlattices and their constituents show anisotropic mechanical properties. The structural stability and boundary stress are further evaluated and analyzed. Moreover, the finite indirect electronic band gaps are found for the proposed superlattices. The results of this work may provide some insights to design spintronics based on the proposed hetero-superlattices.

二维 (2D) 材料由于其出色的机电和光电性能而引起了广泛的关注。尽管在探索新型 2D 材料及其性能方面做出了广泛的努力，但单个成分几乎不能提供纳米电子学实际应用所需的所有性能。由不同的 2D 晶体组成的横向异质超晶格可以提供一种有效的策略来整合每个单独成分的优势。在这项工作中，我们提出了两种由交替排列的 CuO 和 FeO 晶格构成的新型横向异质超晶格。我们打算通过基于密度泛函理论的计算来报告它们的结构、机械、电子和自旋特性。发现 CuO 和 FeO 单层的晶格参数取决于 Cu 和 Fe 原子的自旋排列。CuO-FeO 横向超晶格及其成分显示出各向异性的机械性能。进一步评估和分析结构稳定性和边界应力。此外，发现了所提出的超晶格的有限间接电子带隙。这项工作的结果可能为基于所提出的异质超晶格设计自旋电子学提供一些见解。