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https://hdl.handle.net/11147/6455
Title: | Ultra-thin ZnSe: Anisotropic and flexible crystal structure | Authors: | Bacaksız, Cihan Şenger, Ramazan Tuğrul Şahin, Hasan |
Keywords: | Crystal structure Density functional theory Monolayer structures |
Publisher: | Elsevier Ltd. | Source: | Bacaksız, C., Senger, R. T., and Şahin, H. (2017). Ultra-thin ZnSe: Anisotropic and flexible crystal structure. Applied Surface Science, 409, 426-430. doi:10.1016/j.apsusc.2017.03.039 | Abstract: | By performing density functional theory-based calculations, we investigate the structural, electronic, and mechanical properties of the thinnest ever ZnSe crystal [11]. The vibrational spectrum analysis reveals that the monolayer ZnSe is dynamically stable and has flexible nature with its soft phonon modes. In addition, a direct electronic band gap is found at the gamma point for the monolayer structure of ZnSe. We also elucidate that the monolayer ZnSe has angle dependent in-plane elastic parameters. In particular, the in-plane stiffness values are found to be 2.07 and 6.89 N/m for the arm-chair and zig-zag directions, respectively. The angle dependency is also valid for the Poisson ratio of the monolayer ZnSe. More significantly, the in-plane stiffness of the monolayer ZnSe is the one-tenth of Young modulus of bulk zb-ZnSe which indicates that the monolayer ZnSe is a quite flexible single layer crystal. With its flexible nature and in-plane anisotropic mechanical properties, the monolayer ZnSe is a good candidate for nanoscale mechanical applications. | URI: | http://doi.org/10.1016/j.apsusc.2017.03.039 http://hdl.handle.net/11147/6455 |
ISSN: | 0169-4332 0169-4332 1873-5584 |
Appears in Collections: | Photonics / Fotonik Physics / Fizik Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection |
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