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arXiv 2011.12488cond-mat.mtrl-scicond-mat.str-el
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1T-TaS2准二维关联电荷密度波中畴壁的动物学

Zoology of domain walls in quasi-2D correlated charge density wave of 1T-TaS2

Park Jae Whan, Lee Jinwon, Yeom Han Woong

AI总结:

本研究利用扫描隧道显微镜和密度泛函理论,揭示了亚稳态1T-TaS2中失配畴壁的原子与电子结构,发现金属态仅存于特定畴壁,且其性质受电子计数及多重相互作用共同主导,为关联范德华材料的畴壁工程提供指导。

摘要:

在诸如1T-TaS2等关联电荷密度波化合物中,畴壁可以具有独特的局域态,这些局域态主导着新兴量子相的物理性质与功能。然而,畴壁的详细原子和电子结构在很大程度上仍难以捉摸。我们利用扫描隧道显微镜和密度泛函理论计算,确定了具有纳米级畴壁网络的亚稳态淬火1T-TaS2中大量失配畴壁的原子和电子结构。这些畴壁在Mott能隙内展现出各种能隙内态,但金属态仅出现在特定类型的畴壁中。对畴壁电子性质的系统理解不仅需要电子计数,还需要包含各种交织的相互作用,如结构弛豫、电子关联和电荷转移。这项工作为指导关联范德华材料中功能的畴壁工程奠定了基础。

英文摘要:

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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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