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Unveiling the pressure-driven metal-semiconductor-metal transition in the doped TiS2 |
| Jiajun Chen(陈佳骏)1, Xindeng Lv(吕心邓)1, Simin Li(李思敏)1, Yaqian Dan(但雅倩)1, Yanping Huang(黄艳萍)1,†, and Tian Cui(崔田)1,2,‡ |
1 Institute of High Pressure Physics, School of Physical Science and Technology, Ningbo University, Ningbo 315211, China;
2 State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China |
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Abstract Conventional theories expect that materials under pressure exhibit expanded valence and conduction bands, leading to increased electrical conductivity. Here, we report the electrical properties of the doped 1$T$-TiS$_{2}$ under high pressure by electrical resistance investigations, synchrotron x-ray diffraction, Raman scattering and theoretical calculations. Up to 70GPa, an unusual metal-semiconductor-metal transition occurs. Our first-principles calculations suggest that the observed anti-Wilson transition from metal to semiconductor at 17GPa is due to the electron localization induced by the intercalated Ti atoms. This electron localization is attributed to the strengthened coupling between the doped Ti atoms and S atoms, and the Anderson localization arising from the disordered intercalation. At pressures exceeding 30.5GPa, the doped TiS$_{2}$ undergoes a re-metallization transition initiated by a crystal structure phase transition. We assign the most probable space group as $P$2$_{1}$2$_{1}$2$_{1}$. Our findings suggest that materials probably will eventually undergo the Wilson transition when subjected to sufficient pressure.
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Received: 13 February 2024
Revised: 18 April 2024
Accepted manuscript online: 25 April 2024
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PACS:
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71.30.+h
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(Metal-insulator transitions and other electronic transitions)
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62.50.-p
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(High-pressure effects in solids and liquids)
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07.35.+k
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(High-pressure apparatus; shock tubes; diamond anvil cells)
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64.60.-i
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(General studies of phase transitions)
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| Fund: This work was supported by the National Natural Science Foundation of China (Grant No. 12304072), Program for Science and Technology Innovation Team in Zhejiang (Grant No. 2021R01004), and Natural Science Foundation of Ningbo (Grant No. 2021J121). |
Corresponding Authors:
Yanping Huang, Tian Cui
E-mail: huangyanping@nbu.edu.cn;cuitian@nbu.edu.cn
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Cite this article:
Jiajun Chen(陈佳骏), Xindeng Lv(吕心邓), Simin Li(李思敏), Yaqian Dan(但雅倩), Yanping Huang(黄艳萍), and Tian Cui(崔田) Unveiling the pressure-driven metal-semiconductor-metal transition in the doped TiS2 2024 Chin. Phys. B 33 067104
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