Structural and electronic properties of ZnO: A first-principles density-functional theory study within LDA(GGA) and LDA(GGA)+U methods

In this article, the structural and electronic properties of bulk ZnO have been studied using the plane-wave-based pseudopotential density functional theory (DFT). The structural parameters, band structure (BS), and density of states (DOS) of ZnO wurtzite structure have been investigated by Quantum...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Solid state communications Jg. 325; S. 114166
Hauptverfasser:	Jafarova, V.N., Orudzhev, G.S.
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Elsevier Ltd 01.02.2021
Schlagworte:	DFT Electronic properties GGA Hubbard U LDA Structural ZnO GGA Electronic properties DFT Structural LDA Hubbard U ZnO
ISSN:	0038-1098, 1879-2766
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!