蓝色磷烯双层膜是一种二维金属--也是屈曲六方双层膜的一个明确分类方案
Blue phosphorene bilayer is a two-dimensional metal -- and an unambiguous classification scheme for buckled hexagonal bilayers
摘要：
高层次的第一性原理计算预测蓝色磷烯双层是一个二维金属。这种结构以前没有被考虑过，并通过采用方框图方案来确定，该方案产生了一套完整的五个高对称性堆叠结构的屈曲蜂窝层，并允许其明确的分类。我们发现，所有这些堆叠配置都是稳定的或至少亚稳态配置蓝色磷烯和灰色砷烯双层。对于蓝色磷烯，最稳定的堆叠结构尚未报道，令人惊讶的是它是金属的，而所有其他排列都是间接带隙半导体。由于不可能通过平移来交换堆叠配置，因此所有这些都应该通过单层的转移在实验上可以获得。蓝色磷烯双层膜的金属特性是由其3.01 μ m的短层间距离引起的，并提供了设计单元素全磷晶体管的特殊可能性。
英文摘要：
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.
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