First principle study of electronic and optical properties of planar GeC, SnC and SiC nanosheets
| Autor: | S. Mohammad Elahi, Amirhosein Esmailian, F. Kanjouri, Soleyman Majidi |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Materials science
Condensed matter physics Band gap Organic Chemistry Metals and Alloys Plane wave 02 engineering and technology Electronic structure 021001 nanoscience & nanotechnology Polarization (waves) 01 natural sciences Surfaces Coatings and Films Computational chemistry Electric field Attenuation coefficient 0103 physical sciences Materials Chemistry 010306 general physics 0210 nano-technology Random phase approximation Refractive index |
| Zdroj: | Protection of Metals and Physical Chemistry of Surfaces. 53:773-779 |
| ISSN: | 2070-206X 2070-2051 |
| DOI: | 10.1134/s2070205117050124 |
| Popis: | The electronic structures and optical properties of XC (X = Ge, Sn, Si) nanosheets are investigated in the present study using the full potential linearized augment plane wave (FP-LAPW) technique based on the first principles density-functional theory (DFT). Using the calculated dielectric function within the random phase approximation (RPA), the reflectivity, absorption coefficient, energy-loss function and refraction index of these nanosheets for parallel and perpendicular electric field polarizations are well described. Our electronic structure calculations for XC (X = Ge, Sn, Si) nanosheets confirmed the semiconductor property of these compounds. To ensure the accuracy of our work, we have also calculated the energy gap and optical constants of XC (X = Ge, Sn, Si) bulks in Zinc-blende structure and compared our obtained results with the previous works. The results of our comparison study show that the values of static refractive index and static dielectric constant for XC (X = Ge, Sn, Si) nanosheets in a parallel electric field polarization are greater than those in a perpendicular electric field polarization. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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