论文标题
蓝色磷光双层是一种二维金属 - 弯曲的六边形双层的明确分类方案
Blue phosphorene bilayer is a two-dimensional metal -- and an unambiguous classification scheme for buckled hexagonal bilayers
论文作者
论文摘要
高级第一原理计算预测蓝磷酸双层是二维金属。该结构以前尚未考虑过，并通过采用块形图方案来确定，该方案产生了搭扣蜂窝层的五个高对称堆叠构型的完整集，并允许其明确的分类。我们表明，所有这些堆叠构型都是稳定的或至少用于蓝色磷酸和灰色阿森烯双层的构型。对于蓝色磷烯而言，尚未报告最稳定的堆叠构型，令人惊讶的是金属，而所有其他布置都是间接的带隙半导体。由于不可能通过翻译互换堆叠配置，因此所有这些配置都应通过单层的传输在实验上访问。蓝色磷烯双层的金属特征是由其短层间距离为3.01Å引起的，并提供了设计单个元素全磷晶体管的特殊可能性。
High-level first-principles computations predict blue phosphorene bilayer to be a two-dimensional metal. This structure has not been considered before and was identified by employing a block-diagram scheme that yields the complete set of five high-symmetry stacking configurations of buckled honeycomb layers, and allows their unambiguous classification. We show that all of these stacking configurations are stable or at least metastable configurations both for blue phosphorene and gray arsenene bilayers. For blue phosphorene, the most stable stacking configuration has not yet been reported, and surprisingly it is metallic, while all other arrangements are indirect band gap semiconductors. As it is impossible to interchange the stacking configurations by translations, all of them should be experimentally accessible via the transfer of monolayers. The metallic character of blue phosphorene bilayer is caused by its short interlayer distance of 3.01 Å and offers the exceptional possibility to design single elemental all-phosphorus transistors.
