First Principles Study of Structural Stability and Electronic Properties of CdTe Nanowires
| Autor: | Ram-Krishna Thakur, Sanjay Prakash Kaushik, Satyendra Singh |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Materials science
Nanowire Nanotechnology 02 engineering and technology General Chemistry 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Cadmium telluride photovoltaics 0104 chemical sciences Computational Mathematics Structural stability General Materials Science Electrical and Electronic Engineering 0210 nano-technology Electronic properties |
| Zdroj: | Journal of Computational and Theoretical Nanoscience. 17:5210-5214 |
| ISSN: | 1546-1955 |
| Popis: | This research article has explored the electronic behaviour of CdTe nanowire. The present study has evolved the structural dependence of electronic properties of CdTe nanowire. The shapes for which this dependence has been studied are 2 atoms linear, 2 atoms zigzag, 4 atoms square and 6 atoms hexagonal for CdTe nanowire. We have used ABINIT code for this study. We have explored the geometrical optimization, band structure and stability of proposed structures. The structure which has come out to be the most stable amongst the all is 4 atom square nanowire where as the findings of the study for band structure reveal that CdTe nanowires may have insulating as well semiconducting nature depending on the shape of the nanowire. |
| Databáze: | OpenAIRE |
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