论文标题
1T-TAS2的准2D相关电荷密度波中的域壁的动物学
Zoology of domain walls in quasi-2D correlated charge density wave of 1T-TaS2
论文作者
论文摘要
相关电荷密度波化合物（例如1T-TAS2）中的域壁可以具有不同的局部状态，该状态控制着新出现的量子相的物理特性和功能。但是，域壁的详细原子和电子结构在很大程度上是难以捉摸的。我们使用扫描隧道显微镜和密度功能理论计算了1T-TAS2中众多偏置域壁的原子和电子结构，该壁壁壁网与纳米级结构域壁网络不稳定地淬灭。域壁在Mott GAP内显示出各种间隙状态，但金属状态仅出现在特定类型的域壁中。对域壁电子属性的系统理解不仅需要电子计数，而且还包括各种相互交互的相互作用，例如结构放松，电子相关和电荷传递。这项工作指导了相关的范德华材料中功能的域壁工程。
Domain walls in correlated charge density wave compounds such as 1T-TaS2 can have distinct localized states which govern physical properties and functionalities of emerging quantum phases. However, detailed atomic and electronic structures of domain walls have largely been elusive. We identify using scanning tunneling microscope and density functional theory calculations the atomic and electronic structures for a plethora of discommensuration domain walls in 1T-TaS2 quenched metastably with nanoscale domain wall networks. The domain walls exhibit various in-gap states within the Mott gap but metallic states appear in only particular types of domain walls. A systematic understanding of the domain-wall electronic property requests not only the electron counting but also including various intertwined interactions such as structural relaxation, electron correlation, and charge transfer. This work guides the domain wall engineering of the functionality in correlated van der Waals materials.
