Exploring the Charge Density Wave phase of 1$T$-TaSe$_2$: Mott or Charge-transfer Gap?

التفاصيل البيبلوغرافية
العنوان: Exploring the Charge Density Wave phase of 1$T$-TaSe$_2$: Mott or Charge-transfer Gap?
المؤلفون: Sayers, C. J., Cerullo, G., Zhang, Y., Sanders, C. E., Chapman, R. T., Wyatt, A. S., Chatterjee, G., Springate, E., Wolverson, D., Da Como, E., Carpene, E.
سنة النشر: 2023
المجموعة: Condensed Matter
مصطلحات موضوعية: Condensed Matter - Strongly Correlated Electrons
الوصف: 1$T$-TaSe$_2$ is widely believed to host a Mott metal-insulator transition in the charge density wave (CDW) phase according to the spectroscopic observation of a band gap that extends across all momentum space. Previous investigations inferred that the occurrence of the Mott phase is limited to the surface only of bulk specimens, but recent analysis on thin samples revealed that the Mott-like behavior, observed in the monolayer, is rapidly suppressed with increasing thickness. Here, we report combined time- and angle-resolved photoemission spectroscopy and theoretical investigations of the electronic structure of 1$T$-TaSe$_2$. Our experimental results confirm the existence of a state above $E_F$, previously ascribed to the upper Hubbard band, and an overall band gap of $\sim 0.7$ eV at $\overline{\Gamma}$. However, supported by density functional theory calculations, we demonstrate that the origin of this state and the gap rests on band structure modifications induced by the CDW phase alone, without the need for Mott correlation effects.
Comment: Accepted by PRL
نوع الوثيقة: Working Paper
DOI: 10.1103/PhysRevLett.130.156401
URL الوصول: http://arxiv.org/abs/2303.06188
رقم الأكسشن: edsarx.2303.06188
قاعدة البيانات: arXiv
الوصف
DOI:10.1103/PhysRevLett.130.156401