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

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. WSe samples were synthesized and ab-initio calculations carried out. We...

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Bibliographic Details
Authors: Terrones, Humberto|||0000-0003-0515-0721; Del Corro, Elena|||0000-0001-6452-9139; Feng, Sha|||0000-0002-2376-0868; Poumirol, Jean-Marie; Rhodes, Daniel|||0000-0002-7651-3211; Smirnov, Dmitry; Pradhan, Nihar R.; Lin, Z Li; Nguyen, Minh An T; Elias, Ana Laura|||0000-0002-4119-6084; Mallouk, Thomas E.|||0000-0003-4599-4208; Balicas, Luis Molinuevo; Pimenta, Marcos A.|||0000-0002-3389-0682; Terrones, Mauricio|||0000-0003-0010-2851
Format: Article
Publication date:2014
Country:España
Institution:Universitat Autònoma de Barcelona
Repository:Dipòsit Digital de Documents de la UAB
Language:English
OAI Identifier:oai:ddd.uab.cat:306922
Online Access:https://ddd.uab.cat/record/306922
https://dx.doi.org/urn:doi:10.1038/srep04215
Access Level:Open access
Description
Summary: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. WSe samples were synthesized and ab-initio calculations carried out. We calculated phonon dispersions and Raman-active modes in layered systems: WSe, MoSe, WS and MoS ranging from monolayers to five-layers and the bulk. First, we confirmed that as the number of layers increase, the E', E″ and E modes shift to lower frequencies, and the A' and A modes shift to higher frequencies. Second, new high frequency first order A' and A modes appear, explaining recently reported experimental data for WSe, MoSe and MoS. Third, splitting of modes around A' and A is found which explains those observed in MoSe. Finally, exterior and interior layers possess different vibrational frequencies. Therefore, it is now possible to precisely identify few-layered STMD.