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Zoology of domain walls in quasi-2D correlated charge density wave of 1T-TaS 2
npj Quantum Materials ( IF 5.4 ) Pub Date : 2021-03-22 , DOI: 10.1038/s41535-021-00330-9
Jae Whan Park , Jinwon Lee , Han Woong Yeom

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.



中文翻译:

1T-TaS 2的准二维相关电荷密度波中的畴壁动物学

相关电荷密度波化合物(例如1T-TaS 2)中的畴壁可以具有不同的局部状态,这些局部状态控制着新出现的量子相的物理性质和功能。然而,畴壁的详细原子和电子结构在很大程度上难以捉摸。我们使用扫描隧道显微镜和密度泛函理论确定了1T-TaS 2中大量失衡畴壁的原子和电子结构用纳米级畴壁网络稳定地淬灭。畴壁在莫特间隙内表现出各种间隙内状态,而金属态仅出现在特定类型的畴壁中。对畴壁电子特性的系统理解不仅要求电子计数,还包括各种相互交织的相互作用,例如结构弛豫,电子相关性和电荷转移。这项工作指导了相关范德华材料中功能的结构域工程。

更新日期:2021-03-22
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