Manipulation of band gap in 1T-TiSe2 via rubidium deposition

doi:10.1088/1674-1056/ad48f9

Abstract The 1$T$-TiSe$_{2}$ is a two-dimensional charge-density-wave (CDW) material that attracts great interest. A small band gap locates at the Fermi level separating the Ti d-bands and Se p-bands, which makes 1$T$-TiSe$_{2}$ a promising candidate for realizing excitonic condensation. Here, we studied the band gap in 1$T$-TiSe$_{2 }$ using angle-resolved photoemission spectroscopy (ARPES). Instead of only focusing on the in-plane band dispersions, we obtained the detailed band dispersions of both conduction and valance bands along the out-of-plane direction. We found that the conduction and valance bands split into multiple sub-bands in the CDW state due to band folding. As a result, the band gap between the Ti d-bands and Se p-bands reduces to $\sim 25 $ meV and becomes a direct gap in the CDW state. More intriguingly, such band gap can be further reduced by the rubidium deposition. The band structure becomes semimetallic in the rubidium-doped sample. Meanwhile, exotic gapless behaviors were observed at the p-d band crossing. Our result characterized the band gap of 1$T$-TiSe$_{2}$ in three-dimensional Brillouin zone with unpreceded precision. It also suggests a closing of band gap or a potential band inversion in 1$T$-TiSe$_{2}$ driven by rubidium deposition.

Keywords: angle-resolved photoemission spectroscopy metal-insulator transition transition metal dichalcogenides

Received: 08 March 2024
Revised: 24 April 2024
Accepted manuscript online:

PACS:	74.25.Jb	(Electronic structure (photoemission, etc.))
	74.70.Xa	(Pnictides and chalcogenides)
	79.60.-i	(Photoemission and photoelectron spectra)

Fund: Project supported by the National Key Research and Development Program of China (Grant Nos. 2022YFA1403502 and 2018YFA0305602) and the National Natural Science Foundation of China (Grant No. 11888101). The work at SSRF is supported by ME2 project under contract No. 11227901 from the National Natural Science Foundation of China.

Corresponding Authors: Yan Zhang
E-mail: yzhang85@pku.edu.cn

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Yi Ou(欧仪), Lei Chen(陈磊), Zi-Ming Xin(信子鸣), Yu-Jing Ren(任宇靖), Peng-Hao Yuan(袁鹏浩), Zheng-Guo Wang(王政国), Yu Zhu(朱玉), Jing-Zhi Chen(陈景芝), and Yan Zhang(张焱) Manipulation of band gap in 1T-TiSe₂ via rubidium deposition 2024 Chin. Phys. B 33 087401

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Manipulation of band gap in 1T-TiSe2 via rubidium deposition

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Manipulation of band gap in 1T-TiSe₂ via rubidium deposition