TITLE

Magnetism and band gap narrowing in Cu-doped ZnO

AUTHOR(S)
Ferhat, M.; Zaoui, A.; Ahuja, R.
PUB. DATE
April 2009
SOURCE
Applied Physics Letters;4/6/2009, Vol. 94 Issue 14, p142502
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
First-principles calculations based on density functional theory are performed to study the magnetic, electronic, and optical properties of ZnO doped with 6.25%, 12.5%, and 18.75% of Cu. The Cu dopants are found spin polarized, and a net magnetic moment of 0.57μB is found for Cu at a composition of 6.25%. The calculations confirm an appreciable band gap reduction in ZnO in agreement with recent experimental results. The analysis of the partial density of states reveals that ferromagnetism and narrowing of ZnO band gap are due principally to the strong p-d mixing of O and Cu.
ACCESSION #
37580369

 

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