1. Ultra-thin ZnSe: Anisotropic and flexible crystal structure
- Author
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Hasan Sahin, Cihan Bacaksiz, Ramazan Tuğrul Senger, TR2199, TR216960, Bacaksız, Cihan, Senger, Ramazan Tuğrul, Şahin, Hasan, Izmir Institute of Technology. Physics, and Izmir Institute of Technology. Photonics
- Subjects
Materials science ,Phonon ,General Physics and Astronomy ,Physics::Optics ,Young's modulus ,02 engineering and technology ,Crystal structure ,010402 general chemistry ,01 natural sciences ,Crystal ,symbols.namesake ,Condensed Matter::Materials Science ,Monolayer ,Anisotropy ,Condensed matter physics ,Condensed Matter::Other ,Physics ,Surfaces and Interfaces ,General Chemistry ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,Condensed Matter::Mesoscopic Systems and Quantum Hall Effect ,Poisson's ratio ,0104 chemical sciences ,Surfaces, Coatings and Films ,Chemistry ,Crystallography ,Monolayer structures ,symbols ,Density functional theory ,0210 nano-technology - 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., TUBITAK Project (114F397); The Science Academy, Turkey under the BAGEP program; Scientific and Technological Research Council of Turkey (TUBITAK 116C073)
- Published
- 2017