| Autor: |
Qin, Li-Xia, Liang, Han-Pu, Jiang, Rong-Li |
| Předmět: |
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| Zdroj: |
Chinese Physics Letters; May2020, Vol. 37 Issue 5, p1-4, 4p |
| Abstrakt: |
Employing Monte Carlo simulations based on the cluster expansion, the special quasi-random structures and first-principles calculations, we systematically investigate the structure transition of BeZnO2 alloys from the ordered to the disordered phase driven by the increased synthesis temperature, together with the solid-state phase diagram. It is found that by controlling the ordering parameter at the mixed sublattice, the band structure can vary continuously from a wide direct band gap of 4.61 eV for the fully ordered structure to a relatively narrow direct band gap of 3.60 eV for the fully disordered structure. Therefore, a better optical performance could be achieved simply by controlling the synthesis temperature, which determines the ordering parameters and thus the band gaps. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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