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CdS/CdSe core/shell nanowire as cold anti-reflectors and high voltage nanodevices: A first principles study.
- Source :
-
AIP Conference Proceedings . 2020, Vol. 2265 Issue 1, p1-4. 4p. - Publication Year :
- 2020
-
Abstract
- A density functional theory (DFT) based computation was conducted to study the electronic band structure, electron density of states (DOS) and partial DOS of CdS/CdSe core/shell nanowires (NW). The band structure calculation shows a direct bandgap of approximately 2.07eV at the Γ-point, using generalized gradient approximation (GGA). The TDOS and PDOS calculations predict that a sharp peak is obtained at -9 eV below the Fermi level, in the valence band (VB) due to the possible hybridization between Se-p, S-p and Cd-s orbitals. Also, the total DOS calculations predict that the conduction band (CB) are mainly dominated by the Cd-s orbitals. Static dielectric constant and refractive index are 2.46 and 1.57 respectively. Absorption spectra show high absorption in the C band of the UV region with a peak at 8.04 eV. The maximum reflectivity of around 24% occurs at around 8.22 eV. And the low values of reflectivity suggests their possible applications as cold anti-reflectors. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 0094243X
- Volume :
- 2265
- Issue :
- 1
- Database :
- Academic Search Index
- Journal :
- AIP Conference Proceedings
- Publication Type :
- Conference
- Accession number :
- 146875600
- Full Text :
- https://doi.org/10.1063/5.0022532