4.7 Article

Bandgap analysis and carrier localization in cation-disordered ZnGeN2

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Cation-size mismatch as a predictive descriptor for structural distortion, configurational disorder, and valence-band splitting in II-IV-N2 semiconductors

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Summary: The study systematically investigates the effects of structural distortions due to cation size mismatch on the configurational disorder and valence band structure of II-IV-N-2 materials using first-principles calculations. Results show that larger cation size mismatch leads to stronger lattice distortions, inhibiting the propensity of these materials toward disorder. The structural and functional properties of II-IV-N-2 materials can be finely tuned through controllable structural distortions stemming from the choice of cations.

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