Ultra-thin ZnSe: Anisotropic and flexible crystal structure
| Autor: | Hasan Sahin, Cihan Bacaksiz, Ramazan Tuğrul Senger |
|---|---|
| Přispěvatelé: | TR2199, TR216960, Bacaksız, Cihan, Senger, Ramazan Tuğrul, Şahin, Hasan, Izmir Institute of Technology. Physics, Izmir Institute of Technology. Photonics |
| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
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 |
| Zdroj: | Applied surface science |
| ISSN: | 0169-4332 |
| Popis: | 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) |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect