Electronic Structure of Mg-, Si-, and Zn-Doped SnO[sub.2] Nanowires: Predictions from First Principles

We investigated the electronic structure of Mg-, Si-, and Zn-doped four-faceted [001]- and [110]-oriented SnO[sub.2] nanowires using first-principles calculations based on the linear combination of atomic orbitals (LCAO) method. This approach, employing atomic-centered Gaussian-type functions as a b...

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Veröffentlicht in:	Materials 2024-05, Vol.17 (10)
Hauptverfasser:	Platonenko, Alexander, Piskunov, Sergei, Yang, Thomas C.-K, Juodkazyte, Jurga, Isakoviča, Inta, Popov, Anatoli I, Junisbekova, Diana, Baimukhanov, Zein, Dauletbekova, Alma
Format:	Artikel
Sprache:	eng
Schlagworte:	Density functionals Zinc compounds
Online-Zugang:	Volltext
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