Spectral evidence for NiPS3 as a Mott-Hubbard insulator
Fuente:
arXiv
Saved in:
| Main Authors: | , , , , , , |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866914855682834432 |
|---|---|
| author | Cao, Yifeng Russo, Nicholas Tan, Qishuo Ling, Xi Guo, Jinghua Chuang, Yi-de Smith, Kevin E. |
| author_facet | Cao, Yifeng Russo, Nicholas Tan, Qishuo Ling, Xi Guo, Jinghua Chuang, Yi-de Smith, Kevin E. |
| contents | The layered van der Waals trichalcogenide NiPS3 has attracted widespread attention due to its unique optical, magnetic, and electronic properties. The complexity of NiPS3 itself, however, has also led to ongoing debates regarding its characteristics such as the existence of self-doped ligand holes. In this study, X-ray absorption spectroscopy and resonant inelastic X-ray scattering have been applied to investigate the electronic structure of NiPS3. With the aid of theoretical calculations using the charge-transfer multiplet model, we provide experimental evidence for NiPS3 being a Mott-Hubbard insulator rather than a charge-transfer insulator. Moreover, we explain why some previous XAS studies have concluded that NiPS3 is a charge-transfer insulator by comparing surface and bulk sensitive spectra. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2407_01881 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Spectral evidence for NiPS3 as a Mott-Hubbard insulator Cao, Yifeng Russo, Nicholas Tan, Qishuo Ling, Xi Guo, Jinghua Chuang, Yi-de Smith, Kevin E. Strongly Correlated Electrons Other Condensed Matter The layered van der Waals trichalcogenide NiPS3 has attracted widespread attention due to its unique optical, magnetic, and electronic properties. The complexity of NiPS3 itself, however, has also led to ongoing debates regarding its characteristics such as the existence of self-doped ligand holes. In this study, X-ray absorption spectroscopy and resonant inelastic X-ray scattering have been applied to investigate the electronic structure of NiPS3. With the aid of theoretical calculations using the charge-transfer multiplet model, we provide experimental evidence for NiPS3 being a Mott-Hubbard insulator rather than a charge-transfer insulator. Moreover, we explain why some previous XAS studies have concluded that NiPS3 is a charge-transfer insulator by comparing surface and bulk sensitive spectra. |
| title | Spectral evidence for NiPS3 as a Mott-Hubbard insulator |
| topic | Strongly Correlated Electrons Other Condensed Matter |
| url | https://arxiv.org/abs/2407.01881 |