论文标题
五氧化磷灰石阶段：新组V
Pentaoctite phase: A new group V allotrope
论文作者
论文摘要
通过执行firt-principles电子计算，我们提出了五氧化石结构中抗偏氨酸，阿森烯和磷烯的新阶段。通过计算声子光谱，我们表明所有这些阶段都是稳定的。尽管这些结构具有间接的带隙，但可以通过施加外部应变来直接缝制材料。介电函数的GW计算表明，所有这些结构在可见区域中均具有吸收光谱，这对于组-V光电子学可能很有用。
By performing firt-principles electronic calculations we propose new a phase of group-V allotropes of antimonene, arsenene and phosphorene in the pentaoctite structure. By calculating the phonon spectra, we show that all these phases are stable. Whereas these structures have a indirect band gap, they can be made direct gap materials by applying external strain. GW calculations of the dielectric function demonstrate that all these structures have an absorption spectrum in the visible region, which could be useful for group-V optoelectronics.
