论文标题
单层IRTE2中的大隙绝缘二聚体基态
Large-gap insulating dimer ground state in monolayer IrTe2
论文作者
论文摘要
二维范德华材料的单层材料的单层表现出与它们的散装相关的新型电子相，因为在没有层间耦合的情况下，对称性断裂和减少了筛选。在这项工作中，我们结合了角度分辨光发射光谱和扫描隧穿显微镜/光谱，以证明单层1T-IRTE2中具有较大带隙的独特绝缘2 x 1二聚体基态的出现，与金属毛线对羽毛形成这种材料相比，它具有较大的带隙。第一原理计算表明，声子和电荷不稳定性以及局部键的形成共同增强和稳定了电荷订购的基态。我们的发现为在没有强大的层间耦合的情况下发生相似能量尺度的相互作用的微妙平衡提供了重要的见解，这为设计2D单层的特性提供了新的机会。
Monolayers of two-dimensional van der Waals materials exhibit novel electronic phases distinct from their bulk due to the symmetry breaking and reduced screening in the absence of the interlayer coupling. In this work, we combine angle-resolved photoemission spectroscopy and scanning tunneling microscopy/spectroscopy to demonstrate the emergence of a unique insulating 2 x 1 dimer ground state in monolayer 1T-IrTe2 that has a large band gap in contrast to the metallic bilayer-to-bulk forms of this material. First-principles calculations reveal that phonon and charge instabilities as well as local bond formation collectively enhance and stabilize a charge-ordered ground state. Our findings provide important insights into the subtle balance of interactions having similar energy scales that occurs in the absence of strong interlayer coupling, which offers new opportunities to engineer the properties of 2D monolayers.
