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...

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Vydané v:	Solid state communications Ročník 325; s. 114166
Hlavní autori:	Jafarova, V.N., Orudzhev, G.S.
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Elsevier Ltd 01.02.2021
Predmet:	DFT Electronic properties GGA Hubbard U LDA Structural ZnO GGA Electronic properties DFT Structural LDA Hubbard U ZnO
ISSN:	0038-1098, 1879-2766
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