Electronic structure, defect formation energy, and photovoltaic properties of wurtzite-derived CuGaO2

Wurtzite-derived CuGaO2 (β-CuGaO2) is a recently synthesized oxide and expected as a candidate material for photovoltaic solar cells. In this paper, we propose computational material design concerning β-CuGaO2 based on the first-principles calculations. We perform hybrid calculations by using the VA...

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Veröffentlicht in:	Journal of applied physics 2018-04, Vol.123 (16)
Hauptverfasser:	Okumura, H., Sato, K., Kakeshita, T.
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied physics Computing time Doping Electronic structure Energy of formation First principles Free energy Heat of formation Heterojunctions Materials selection Mathematical analysis Photovoltaic cells Solar cells Wurtzite Zinc oxide
Online-Zugang:	Volltext
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