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First-principles calculations to investigate structural, electronic, piezoelectric and optical properties of Sc-Doped GaN

Bendahah, Abla; Bensaid, Djillali; Yhaia, Azzaz; Khadidja, Mokadem; Noureddine, Moulay; Bendouma, Doumi; Al-Douri, Yarub (Springer Nature, 2024)

Ab-initio calculations are performed to understand the effect of Sc incorporated into Wurtzite gallium nitride (GaN) on the optical properties to give a systematic idea of the spontaneous polarization Ps in Sc0.5Ga0.5N. ...