Electronic and optical properties of pure and Ce3+-doped MgS single crystals: A first-principles prediction

The electronic and optical properties for pure and Ce3+-doped MgS crystals have been investigated by using the first-principles total energy calculations. The results show that MgS:Ce has a direct band gap of 2.38 eV, and the top of the valence band is determined by S 3p and Ce 4f states and the bot...

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Veröffentlicht in:	Journal of applied physics 2009-03, Vol.105 (6)
Hauptverfasser:	Chen, Z. J., Zu, X. T., Wang, Y. X., Xue, S. W.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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