Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. Examining Experimental Raman Mode Behavior in Mono- and Bilayer 2H-TaSe2 via Density Functional Theory: Implications for Quantum Information Science
 
research article

Examining Experimental Raman Mode Behavior in Mono- and Bilayer 2H-TaSe2 via Density Functional Theory: Implications for Quantum Information Science

Chowdhury, Sugata
•
Hill, Heather M.
•
Rigosi, Albert F.
Show more
February 26, 2021
Acs Applied Nano Materials

Tantalum diselenide (TaSe2) is a metallic transition metal dichalcogenide whose structure and vibrational behavior strongly depend on temperature and thickness, and this behavior includes the emergence of charge density wave (CDW) states at very low temperatures. In this work, observed Raman modes for mono- and bilayer are described across several spectral regions and compared to those seen in the bulk case. These modes, which include an experimentally observed forbidden Raman mode and low-frequency CDWs, are then matched to corresponding vibrations predicted by density functional theory (DFT). The reported match between experimental and computational results supports the presented vibrational visualizations of these modes. Support is also provided by experimental phonons observed in additional Raman spectra as a function of temperature and thickness. These results highlight the importance of understanding CDWs since they are likely to play a fundamental role in the future realization of solid-state quantum information platforms based on nonequilibrium phenomena.

  • Details
  • Metrics
Type
research article
DOI
10.1021/acsanm.0c03222
Web of Science ID

WOS:000624546800088

Author(s)
Chowdhury, Sugata
Hill, Heather M.
Rigosi, Albert F.
Briggs, Andrew
Berger, Helmuth  
Newell, David B.
Walker, Angela R. Hight
Tavazza, Francesca
Date Issued

2021-02-26

Published in
Acs Applied Nano Materials
Volume

4

Issue

2

Start page

1810

End page

1816

Subjects

Nanoscience & Nanotechnology

•

Materials Science, Multidisciplinary

•

Science & Technology - Other Topics

•

Materials Science

•

charge density waves

•

density functional theory

•

transition metal dichalcogenides

•

raman spectroscopy

•

forbidden mode

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LPMC  
Available on Infoscience
May 8, 2021
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/177922
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés