Study of properties of (Mg, Al)-codoped ZnO with GGA and mBJ approximations
| Autor: | Nejma Fazouan, El Houssine Atmani, M. Khuili, Hassna Abou El Makarim |
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| Rok vydání: | 2016 |
| Předmět: |
Physics
Band gap Magnesium Doping Analytical chemistry General Physics and Astronomy chemistry.chemical_element Nanotechnology 02 engineering and technology CP2K 021001 nanoscience & nanotechnology 01 natural sciences Blueshift WIEN2k chemistry Electrical resistivity and conductivity 0103 physical sciences 010306 general physics 0210 nano-technology Basis set |
| Zdroj: | Physics Letters A. 380:2881-2887 |
| ISSN: | 0375-9601 |
| Popis: | The physical properties of the codoped ZnO system Zn 1 − x − y Mg x Al y O were studied using a Gaussian and plane waves basis set method implemented in CP2K code, combined to the modified Becke–Johnson potential approximation implemented in the Wien2k code. We have found that the magnesium doped ZnO enhances the optical properties and induces a blue shift in the optical band gap, but reduces its electrical properties. The incorporation of a low Mg concentration in Al doped ZnO achieves a good electrical conductivity and high transmittance. These results make this material a suitable candidate for electronic transparent devices. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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