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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Bibliographic Details

Published in:	Solid state communications Vol. 325; p. 114166
Main Authors:	Jafarova, V.N., Orudzhev, G.S.
Format:	Journal Article
Language:	English
Published:	Elsevier Ltd 01.02.2021
Subjects:	DFT Electronic properties GGA Hubbard U LDA Structural ZnO GGA Electronic properties DFT Structural LDA Hubbard U ZnO
ISSN:	0038-1098, 1879-2766
Online Access:	Get full text
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