Title Phonon softening and direct to indirect band gap crossover in strained single-layer $MoSe_{2}$ Author Horzum, S. Sahin, H. Cahangirov, S. Cudazzo, P. Rubio, A. Serin, T. Peeters, F.M. Faculty/Department Faculty of Sciences. Physics Publication type article Publication 2013 Lancaster, Pa , 2013 Subject Physics Source (journal) Physical review : B : condensed matter and materials physics. - Lancaster, Pa, 1998 - 2015 Volume/pages 87(2013) :12 , p. 1-5 ISSN 1098-0121 1550-235X 1098-0121 Article Reference 125415 Carrier E-only publicatie Target language English (eng) Full text (Publishers DOI) Affiliation University of Antwerp Abstract Motivated by recent experimental observations of Tongay et al. [Nano Lett. 12, 5576 (2012)] we show how the electronic properties and Raman characteristics of single layer MoSe2 are affected by elastic biaxial strain. We found that with increasing strain: (1) the E' and E '' Raman peaks (E-2g and E-1g in bulk) exhibit significant redshifts (up to similar to 30 cm(-1)), (2) the position of the A'(1) peak remains at similar to 180 cm(-1) (A(1g) in bulk) and does not change considerably with further strain, (3) the dispersion of low energy flexural phonons crosses over from quadratic to linear, and (4) the electronic band structure undergoes a direct to indirect band gap crossover under similar to 3% biaxial tensile strain. Thus the application of strain appears to be a promising approach for a rapid and reversible tuning of the electronic, vibrational, and optical properties of single layer MoSe2 and similar MX2 dichalcogenides. DOI:10.1103/PhysRevB.87.125415 Full text (open access) https://repository.uantwerpen.be/docman/irua/9613af/3739.pdf E-info http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000316383700006&DestLinkType=RelatedRecords&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000316383700006&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000316383700006&DestLinkType=CitingArticles&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 Handle