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<p>Vanadium diselenide (VSe<sub>2</sub>), a layered metallic material with a three-dimensional charge density wave (CDW), has received considerable attention due to the high tunability of its CDW phase. Recently, organic tetrabutyl ammonium (TBA) cations have been intercalated into bulk VSe<sub>2</sub>, resulting in a novel metal-insulator transition with a new two-dimensional in-plane periodicity lattice modulation. In this study, we employ infrared spectroscopy and first-principles calculations to investigate the electronic structure of both pristine VSe<sub>2</sub> and TBA<sup>+</sup>-intercalated VSe<sub>2</sub>. Our findings reveal a gradual development of a CDW energy gap in pristine VSe<sub>2</sub> during the CDW transition, whereas TBA<sup>+</sup>-intercalated VSe<sub>2</sub> undergoes an abrupt and intricate electronic band reconstruction at the phase transition. The study directly distinguishes between traditional CDW order, characterized by a change in band structure at low energy with the formation of an energy gap, and a first-order phase transition with abrupt band reconstruction over broad energies, as seen in (TBA<sup>+</sup>)<sub><i>x</i></sub>VSe<sub>2</sub>. Infrared spectroscopy provides a straightforward method to distinguish between these two scenarios. These findings enhance our understanding of structural phase transitions driven by Fermi surface nesting or alternative mechanisms.</p>

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Charge density wave transition of pristine and organic-intercalated 1T-VSe2 studied by infrared spectroscopy

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年5月5日

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  • Tianchen Hu,
  • Bo-Xuan Li,
  • Shuxiang Xu,
  • Shangfei Wu,
  • Qiong Wu,
  • Junhan Huang,
  • Qiaomei Liu,
  • Xinyu Zhou,
  • Jiayu Yuan,
  • Dong Wu,
  • Tao Dong,
  • Jiangping Hu,
  • Hongming Weng,
  • Nanlin Wang

摘要

Vanadium diselenide (VSe2), a layered metallic material with a three-dimensional charge density wave (CDW), has received considerable attention due to the high tunability of its CDW phase. Recently, organic tetrabutyl ammonium (TBA) cations have been intercalated into bulk VSe2, resulting in a novel metal-insulator transition with a new two-dimensional in-plane periodicity lattice modulation. In this study, we employ infrared spectroscopy and first-principles calculations to investigate the electronic structure of both pristine VSe2 and TBA+-intercalated VSe2. Our findings reveal a gradual development of a CDW energy gap in pristine VSe2 during the CDW transition, whereas TBA+-intercalated VSe2 undergoes an abrupt and intricate electronic band reconstruction at the phase transition. The study directly distinguishes between traditional CDW order, characterized by a change in band structure at low energy with the formation of an energy gap, and a first-order phase transition with abrupt band reconstruction over broad energies, as seen in (TBA+)xVSe2. Infrared spectroscopy provides a straightforward method to distinguish between these two scenarios. These findings enhance our understanding of structural phase transitions driven by Fermi surface nesting or alternative mechanisms.