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Raman study and lattice dynamics of single molecular layers ofMoS2
Abstract
A valence-force-field model has been used to study the lattice dynamics of molybdenum disulfide single molecular layers. A comparison between the room-temperature Raman spectra of aqueous suspensions and the calculated phonon-dispersion curves for single layers of ${\mathrm{MoS}}_{2}$ with trigonal prism and octahedral coordination indicates that ${\mathrm{MoS}}_{2}$ single layers adopt a structure in which the Mo atoms are octahedrally coordinated, as opposed to bulk ${\mathrm{MoS}}_{2}$ where the trigonal prism coordination is usually found. Besides the zone-center modes, strong Raman peaks have been observed at 156, 226, and 333 ${\mathrm{cm}}^{\mathrm{\ensuremath{-}}1}$. The presence of these peaks is attributed to a zone-folding mechanism resulting from the formation of a 2${\mathit{a}}_{0}$\ifmmode\times\else\texttimes\fi{}${\mathit{a}}_{0}$ superlattice in the single layers of ${\mathrm{MoS}}_{2}$. The superlattice is, in turn, believed to correspond to the basal-plane atomic arrangement of a distorted octahedral structure. Lattice-dynamics calculations based on an octahedrally coordinated structure with a significant metal-metal interaction yield good agreement with the observed frequencies. When the single molecular layers restack and the sulfur-sulfur interaction between the layers is recovered, the layers convert back to the trigonal prismatic configuration of crystalline ${\mathrm{MoS}}_{2}$.
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Metadata
- Authors
- Jiménez Sandoval, S., Yang, D., Frindt, R. F., & Irwin, J. C.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1991-08-15
- Volume
- 44
- Issue
- 8
- Pages
- 3955-3962
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2050956919
- Cited by
- 617
- References
- 0
- FWCI
- 2.25
- Type
- journal article
- Language
- en
- Open access
- closed
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