Large-gap insulating dimer ground state in monolayer IrTe2

Jinwoong Hwang (), Kyoo Kim, Canxun Zhang, Tiancong Zhu, Charlotte Herbig, Sooran Kim, Bongjae Kim, Yong Zhong, Mohamed Salah, Mohamed M. El-Desoky, Choongyu Hwang, Zhi-Xun Shen, Michael F. Crommie and Sung-Kwan Mo ()
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Jinwoong Hwang: Lawrence Berkeley National Laboratory
Kyoo Kim: Korea Atomic Energy Research Institute
Canxun Zhang: University of California
Tiancong Zhu: University of California
Charlotte Herbig: University of California
Sooran Kim: Kyungpook National University
Bongjae Kim: Kunsan National University
Yong Zhong: Lawrence Berkeley National Laboratory
Mohamed Salah: Lawrence Berkeley National Laboratory
Mohamed M. El-Desoky: Suez University
Choongyu Hwang: Pusan National University
Zhi-Xun Shen: SLAC National Accelerator Laboratory
Michael F. Crommie: University of California
Sung-Kwan Mo: Lawrence Berkeley National Laboratory

Nature Communications, 2022, vol. 13, issue 1, 1-7

Abstract: 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 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.

Date: 2022
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DOI: 10.1038/s41467-022-28542-y

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