Electronic structure calculations of delafossite Cu-based transparent conducting oxides Cu M O sub(2_)(M = B, Al Ga, In) by quasiparticle self-consistent GW approximation and Tran-Blaha's modified Becke-Johnson exchange potential

In this work, band gaps of the delafossite Cu-based transparent conducting oxides Cu M O sub(2) (M = B, Al, Ga, In) are calculated by density functional theory (DFT) implemented with many-body perturbation theory (MBPT) based on quasiparticle self-consistent GW approximation (QPscGW) and with Tran-B...

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Veröffentlicht in:	Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2014-09, Vol.90 (11)
Hauptverfasser:	Thatribud, Abdulmutta, Pengpan, Teparksorn
Format:	Artikel
Sprache:	eng
Schlagworte:	Aluminum Approximation Condensed matter Conduction Copper Density Energy gaps (solid state) Mathematical analysis Oxides
Online-Zugang:	Volltext
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