Abstract
Based on ab initio density functional calculation and nonresonant Raman theory, we calculate strain dependent Raman spectra of six kinds of transition-metal dichalcogenides (TMDCs). The biaxial strain dependence of Raman intensity and direct band gap in TMDC monolayers is systematically studied from which we show a scaling law of the Raman intensity and band gap. Out-of-plane A1g mode has vanishing intensity under a certain strain. Such a strain-induced behavior is found to be universal in the TMDC, and Raman intensity for the six TMDCs can be scaled as a function of Gruneissen parameter γ and Raman wavenumbers in the frame of Morse-type function. The scaling behavior of Raman intensity and direct band gap in TMDCs indicates of some material-independent picture which can be used for new understanding of properties and design of new-type functional devices for electronic and optoelectronic application based on strain engineering.
Original language | English |
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Pages (from-to) | 1353-1361 |
Number of pages | 9 |
Journal | Journal of Raman Spectroscopy |
Volume | 51 |
Issue number | 8 |
DOIs | |
Publication status | Published - 2020 Aug 1 |
Keywords
- Raman intensity
- TMDC
- intensity dip
- scaling
- strain effect
ASJC Scopus subject areas
- Materials Science(all)
- Spectroscopy