New First Order Raman-active Modes in Few Layered Transition Metal Dichalcogenides

H. Terrones, E. Del Corro, S. Feng, J. M. Poumirol, D. Rhodes, D. Smirnov, N. R. Pradhan, Z. Lin, M. A.T. Nguyen, A. L. Elías, T. E. Mallouk, L. Balicas, M. A. Pimenta, M. Terrones

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Abstract

Although the main Raman features of semiconducting transition metal dichalcogenides are well known for the monolayer and bulk, there are important differences exhibited by few layered systems which have not been fully addressed. WSe2 samples were synthesized and ab-initio calculations carried out. We calculated phonon dispersions and Raman-active modes in layered systems: WSe2, MoSe2, WS2 and MoS2 ranging from monolayers to five-layers and the bulk. First, we confirmed that as the number of layers increase, the E′, E″ and E2g modes shift to lower frequencies, and the A′1 and A1g modes shift to higher frequencies. Second, new high frequency first order A′1 and A1g modes appear, explaining recently reported experimental data for WSe2, MoSe2 and MoS2. Third, splitting of modes around A′1 and A1g is found which explains those observed in MoSe2. Finally, exterior and interior layers possess different vibrational frequencies. Therefore, it is now possible to precisely identify few-layered STMD.

Original languageEnglish (US)
Article number4215
JournalScientific reports
Volume4
DOIs
StatePublished - Apr 1 2014

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Phonons
Metals

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Terrones, H., Del Corro, E., Feng, S., Poumirol, J. M., Rhodes, D., Smirnov, D., ... Terrones, M. (2014). New First Order Raman-active Modes in Few Layered Transition Metal Dichalcogenides. Scientific reports, 4, [4215]. https://doi.org/10.1038/srep04215
Terrones, H. ; Del Corro, E. ; Feng, S. ; Poumirol, J. M. ; Rhodes, D. ; Smirnov, D. ; Pradhan, N. R. ; Lin, Z. ; Nguyen, M. A.T. ; Elías, A. L. ; Mallouk, T. E. ; Balicas, L. ; Pimenta, M. A. ; Terrones, M. / New First Order Raman-active Modes in Few Layered Transition Metal Dichalcogenides. In: Scientific reports. 2014 ; Vol. 4.
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Terrones, H, Del Corro, E, Feng, S, Poumirol, JM, Rhodes, D, Smirnov, D, Pradhan, NR, Lin, Z, Nguyen, MAT, Elías, AL, Mallouk, TE, Balicas, L, Pimenta, MA & Terrones, M 2014, 'New First Order Raman-active Modes in Few Layered Transition Metal Dichalcogenides', Scientific reports, vol. 4, 4215. https://doi.org/10.1038/srep04215

New First Order Raman-active Modes in Few Layered Transition Metal Dichalcogenides. / Terrones, H.; Del Corro, E.; Feng, S.; Poumirol, J. M.; Rhodes, D.; Smirnov, D.; Pradhan, N. R.; Lin, Z.; Nguyen, M. A.T.; Elías, A. L.; Mallouk, T. E.; Balicas, L.; Pimenta, M. A.; Terrones, M.

In: Scientific reports, Vol. 4, 4215, 01.04.2014.

Research output: Contribution to journalArticle

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AU - Del Corro, E.

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AU - Rhodes, D.

AU - Smirnov, D.

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AU - Lin, Z.

AU - Nguyen, M. A.T.

AU - Elías, A. L.

AU - Mallouk, T. E.

AU - Balicas, L.

AU - Pimenta, M. A.

AU - Terrones, M.

PY - 2014/4/1

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N2 - Although the main Raman features of semiconducting transition metal dichalcogenides are well known for the monolayer and bulk, there are important differences exhibited by few layered systems which have not been fully addressed. WSe2 samples were synthesized and ab-initio calculations carried out. We calculated phonon dispersions and Raman-active modes in layered systems: WSe2, MoSe2, WS2 and MoS2 ranging from monolayers to five-layers and the bulk. First, we confirmed that as the number of layers increase, the E′, E″ and E2g modes shift to lower frequencies, and the A′1 and A1g modes shift to higher frequencies. Second, new high frequency first order A′1 and A1g modes appear, explaining recently reported experimental data for WSe2, MoSe2 and MoS2. Third, splitting of modes around A′1 and A1g is found which explains those observed in MoSe2. Finally, exterior and interior layers possess different vibrational frequencies. Therefore, it is now possible to precisely identify few-layered STMD.

AB - Although the main Raman features of semiconducting transition metal dichalcogenides are well known for the monolayer and bulk, there are important differences exhibited by few layered systems which have not been fully addressed. WSe2 samples were synthesized and ab-initio calculations carried out. We calculated phonon dispersions and Raman-active modes in layered systems: WSe2, MoSe2, WS2 and MoS2 ranging from monolayers to five-layers and the bulk. First, we confirmed that as the number of layers increase, the E′, E″ and E2g modes shift to lower frequencies, and the A′1 and A1g modes shift to higher frequencies. Second, new high frequency first order A′1 and A1g modes appear, explaining recently reported experimental data for WSe2, MoSe2 and MoS2. Third, splitting of modes around A′1 and A1g is found which explains those observed in MoSe2. Finally, exterior and interior layers possess different vibrational frequencies. Therefore, it is now possible to precisely identify few-layered STMD.

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Terrones H, Del Corro E, Feng S, Poumirol JM, Rhodes D, Smirnov D et al. New First Order Raman-active Modes in Few Layered Transition Metal Dichalcogenides. Scientific reports. 2014 Apr 1;4. 4215. https://doi.org/10.1038/srep04215