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Probing charge density wave phases and the Mott transition in 1T-TaS2 by inelastic light scattering

Journal Article · · Physical Review B
 [1];  [2];  [3];  [1];  [1];  [4];  [2];  [3];  [4];  [5];  [2];  [1]
  1. University of Belgrade (Serbia)
  2. Bayerische Akademie der Wissenschaften, Garching (Germany)
  3. University of Antwerp (Belgium)
  4. Brookhaven National Lab. (BNL), Upton, NY (United States)
  5. University of Belgrade (Serbia); Serbian Academy of Sciences and Arts (Serbia)
+ Show Author Affiliations
We present a polarization-resolved, high-resolution Raman scattering study of the three consecutive charge density wave (CDW) regimes in 1T - TaS2 single crystals, supported by ab initio calculations. Our analysis of the spectra within the low-temperature commensurate (C-CDW) regime shows P$$\bar3$$ symmetry of the system, thus excluding the previously proposed triclinic stacking of the “star-of-David” structure, and promoting trigonal or hexagonal stacking instead. The spectra of the high-temperature incommensurate (IC-CDW) phase directly project the phonon density of states due to the breaking of the translational invariance, supplemented by sizable electron-phonon coupling. Between 200 and 352 K, our Raman spectra show contributions from both the IC-CDW and the C-CDW phases, indicating their coexistence in the so-called nearly commensurate (NC-CDW) phase. The temperature dependence of the symmetry-resolved Raman conductivity indicates the stepwise reduction of the density of states in the CDW phases, followed by a Mott transition within the C-CDW phase. We determine the size of the Mott gap to be Ωgap ≈ 170 – 190 meV, and track its temperature dependence.
Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0012704
OSTI ID:
1809064
Report Number(s):
BNL-221840-2021--JAAM
Journal Information:
Physical Review B, Journal Name: Physical Review B Journal Issue: 24 Vol. 103; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

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Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
Charge density waves
Raman spectroscopy
Transition-metal dichalcogenide