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Electronic Correlations in Multiferroic Van der Waals CuCrP2S6 : Insights from X-ray Spectroscopy and DFT

Guo, Yefei ; Yang, Jiali ; Zhou, Junhao ; Zhu, Na ; Jin, Yichen ; Thiele, Günther ; Preobrajenski, Alexei LU ; Voloshina, Elena and Dedkov, Yuriy (2024) In Journal of Physical Chemistry C 128(18). p.7830-7839
Abstract

The electronic structure of high-quality van der Waals multiferroic CuCrP2S6 crystals was investigated by applying photoelectron spectroscopy methods in combination with DFT analysis. Using X-ray photoelectron and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy at the Cu L2,3 and Cr L2,3 absorption edges, we determine the charge states of ions in the studied compound. Analyzing the systematic NEXAFS and resonant photoelectron spectroscopy data at the Cu/Cr L2,3 absorption edges allowed us to assign the CuCrP2S6 material to a Mott-Hubbard type insulator and identify different Auger-decay channels (participator vs spectator) during absorption and... (More)

The electronic structure of high-quality van der Waals multiferroic CuCrP2S6 crystals was investigated by applying photoelectron spectroscopy methods in combination with DFT analysis. Using X-ray photoelectron and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy at the Cu L2,3 and Cr L2,3 absorption edges, we determine the charge states of ions in the studied compound. Analyzing the systematic NEXAFS and resonant photoelectron spectroscopy data at the Cu/Cr L2,3 absorption edges allowed us to assign the CuCrP2S6 material to a Mott-Hubbard type insulator and identify different Auger-decay channels (participator vs spectator) during absorption and autoionization processes. Spectroscopic and theoretical data obtained for CuCrP2S6 are very important for the detailed understanding of the electronic structure and electron-correlations phenomena in different layered materials, which will drive their further applications in different areas, like electronics, spintronics, sensing, and catalysis.

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author
; ; ; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
epub
subject
in
Journal of Physical Chemistry C
volume
128
issue
18
pages
7830 - 7839
publisher
The American Chemical Society (ACS)
external identifiers
  • scopus:85192136085
ISSN
1932-7447
DOI
10.1021/acs.jpcc.4c02349
language
English
LU publication?
yes
id
980fabad-b16f-4b0d-9393-b0f466c0fb85
date added to LUP
2024-05-15 15:13:10
date last changed
2024-05-15 15:13:47
@article{980fabad-b16f-4b0d-9393-b0f466c0fb85,
  abstract     = {{<p>The electronic structure of high-quality van der Waals multiferroic CuCrP<sub>2</sub>S<sub>6</sub> crystals was investigated by applying photoelectron spectroscopy methods in combination with DFT analysis. Using X-ray photoelectron and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy at the Cu L<sub>2,3</sub> and Cr L<sub>2,3</sub> absorption edges, we determine the charge states of ions in the studied compound. Analyzing the systematic NEXAFS and resonant photoelectron spectroscopy data at the Cu/Cr L<sub>2,3</sub> absorption edges allowed us to assign the CuCrP<sub>2</sub>S<sub>6</sub> material to a Mott-Hubbard type insulator and identify different Auger-decay channels (participator vs spectator) during absorption and autoionization processes. Spectroscopic and theoretical data obtained for CuCrP<sub>2</sub>S<sub>6</sub> are very important for the detailed understanding of the electronic structure and electron-correlations phenomena in different layered materials, which will drive their further applications in different areas, like electronics, spintronics, sensing, and catalysis.</p>}},
  author       = {{Guo, Yefei and Yang, Jiali and Zhou, Junhao and Zhu, Na and Jin, Yichen and Thiele, Günther and Preobrajenski, Alexei and Voloshina, Elena and Dedkov, Yuriy}},
  issn         = {{1932-7447}},
  language     = {{eng}},
  number       = {{18}},
  pages        = {{7830--7839}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{Journal of Physical Chemistry C}},
  title        = {{Electronic Correlations in Multiferroic Van der Waals CuCrP<sub>2</sub>S<sub>6</sub> : Insights from X-ray Spectroscopy and DFT}},
  url          = {{http://dx.doi.org/10.1021/acs.jpcc.4c02349}},
  doi          = {{10.1021/acs.jpcc.4c02349}},
  volume       = {{128}},
  year         = {{2024}},
}