Phase-Dependent Epitaxy for Antimonene Growth on Silver Substrate
Phase-Dependent Epitaxy for Antimonene Growth on Silver Substrate
复制标题
银基板上锑烯生长的相依赖性外延
DOI：
10.3389/fphy.2022.856526
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发表时间：
2022-06-13
影响因子：
3.1
通讯作者：
Liu, Ying
中科院分区：
文献类型：
--
作者：
Liu, Kai;Bai, Keke;Liu, Ying
锑烯是一种新型的二维拓扑半导体材料，具有应变驱动的可调谐电子结构，可用于未来的电子器件，但清洁锑烯的生长尚不完全清楚。本文采用密度泛函理论和粒子群优化算法对锑烯在银衬底上的生长过程进行了详细的研究。结果表明，除了实验报道的扁平蜂窝和β相的antimonene外，α相的antimonene还可以在基质上生长，并且其相深度依赖于重建的超级细胞和表面合金。研究表明，衬底表面合金对锑烯的生长起着积极的作用。
Antimonene is a novel two-dimensional topological semiconductor material with a strain-driven tunable electronic structure for future electronic devices, but the growth of clean antimonene is not fully understood. In this work, the growth process of antimonene on the silver substrate has been studied in detail by using the density functional theory and particle swarm optimization algorithms. The results show that, in addition to the experimental reported flat honeycomb and beta-phase antimonene, alpha-phase antimonene was observed to be able to grow on the substrates, and the phases of antimonene were deeply dependent on the reconstructed supercells and surface alloys. It has been demonstrated that the surface alloys on the substrate play an active role in the growth of antimonene.