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Scaling law for strain dependence of Raman spectra in transition‐metal dichalcogenides
Author(s) -
Zhang Ye,
Guo Huaihong,
Sun Wei,
Sun Hongzhi,
Ali Sajjad,
Zhang Zhidong,
Saito Riichiro,
Yang Teng
Publication year - 2020
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.5908
Subject(s) - raman spectroscopy , materials science , density functional theory , scaling , intensity (physics) , condensed matter physics , ab initio , strain (injury) , band gap , monolayer , scaling law , transition metal , molecular physics , chemistry , computational chemistry , nanotechnology , optics , optoelectronics , physics , medicine , biochemistry , geometry , mathematics , organic chemistry , catalysis
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 A 1 g 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.