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Auger recombination rates in ZnMgO from first principles
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Image of FIG. 1.
FIG. 1.

Valence and conduction band structures for ZnO, Zn0.5Mg0.5O, and MgO in the wurtzite phase obtained by LDA calculations. Especially the structure of the valence bands around the Γ point significantly changes with the Mg content. To consider these changes, an interpolation scheme for intermediary Mg concentrations is applied for the rate computation. The assumed band gaps of the three structures are 3.36 eV (ZnO), 4.64 eV (Zn0.5Mg0.5O), and 6.45 eV (MgO), as indicated in the text.

Image of FIG. 2.
FIG. 2.

(Color online) Interband Auger coefficient in wurtzite ZnMgO at T = 300 K. Interband recombination is most probable for Mg concentrations x around 50%, where transitions into all three valence bands are possible and the flatband dispersion allows high occupation probabilities. The relatively small size of the Auger coefficient, especially for lower x, indicates, however, that interband recombination may not be a dominant loss mechanism in wurtzite ZnMgO. The inset shows the assumed relation between the energy gaps E g (straight line) and Δ (dashed line) and the Mg molar fraction.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Auger recombination rates in ZnMgO from first principles