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Title: Monitoring the effect of asymmetrical vertical strain on Janus single layers of MoSSe via vibrational spectrum
Authors: Kandemir, Ali
Peeters, François M.
Şahin, Hasan
Keywords: Molybdenum compounds
Raman measurements
Janus crystal
Vibrational properties
Crystal atomic structure
Issue Date: Aug-2018
Publisher: American Institute of Physics
Source: Kandemir, A., Peeters, F. M., and Şahin, H. (2018). Monitoring the effect of asymmetrical vertical strain on Janus single layers of MoSSe via vibrational spectrum. Journal of Chemical Physics, 149(8). doi:10.1063/1.5043207
Abstract: Using first principles calculations, we study the structural and phononic properties of the recently synthesized Janus type single layers of molybdenum dichalcogenides. The Janus MoSSe single layer possesses 2H crystal structure with two different chalcogenide sides that lead to out-of-plane anisotropy. By virtue of the asymmetric structure of the ultra-thin Janus type crystal, we induced the out-of-plane anisotropy to show the distinctive vertical pressure effect on the vibrational properties of the Janus material. It is proposed that for the corresponding Raman active optical mode of the Janus structure, the phase modulation and the magnitude ratio of the strained atom and its first neighbor atom adjust the distinctive change in the eigen-frequencies and Raman activity. Moreover, a strong variation in the Raman activity of the Janus structure is obtained under bivertical and univertical strains. Not only eigen-frequency shifts but also Raman activities of the optical modes of the Janus structure exhibit distinguishable features. This study reveals that the vertical anisotropic feature of the Janus structure under Raman measurement allows us to distinguish which side of the Janus crystal interacts with the externals (substrate, functional adlayers, or dopants).
ISSN: 0021-9606
Appears in Collections:Photonics / Fotonik
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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