Large-gap insulating dimer ground state in monolayer IrTe2

Hwang, Jinwoong; Kim, Kyoo; Zhang, Canxun; Zhu, Tiancong; Herbig, Charlotte; Kim, Sooran; Kim, Bongjae; Zhong, Yong; Salah, Mohamed; El-Desoky, Mohamed M.; Hwang, Choongyu; Shen, Zhi-Xun; Crommie, Michael F.; Mo, Sung-Kwan

doi:10.1038/s41467-022-28542-y

Title: Large-gap insulating dimer ground state in monolayer IrTe2

Journal Article · 16 February 2022 · Nature Communications

DOI: https://doi.org/10.1038/s41467-022-28542-y · OSTI ID:1845375

;

; Herbig, Charlotte;

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; Zhong, Yong; Salah, Mohamed; El-Desoky, Mohamed M.;

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Abstract 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 × 1 dimer ground state in monolayer 1 T -IrTe ₂ 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.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-05CH11231; AC02-76SF00515

OSTI ID:: 1845375

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 13; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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