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Codoping: A possible pathway for inducing ferromagnetism in ZnO

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Codoping: A possible pathway for inducing ferromagnetism in ZnO
Λαθιωτάκης, Νεκτάριος N.
Menon, Madhu
Andriotis, Antonis N.
Άρθρο σε επιστημονικό περιοδικό
2008-11
COLLEGE PK
A detailed ab initio (DFT/GGA and DFT/GGA+U) investigation of codoping ZnO with Co and Cu ions reveals the role of Cu and the existence of optimum structural dopant configurations which could lead to the enhancement of ferromagnetism. The role of the Cu ions in Zn(Co,Cu)O is to act as superexchange mediators while causing a remote delocalization through the hybridization of the Cu d(3z)(2)-r(2) spin-majority states with the O p states, thereby enhancing the ferromagnetism. The ferromagnetic state is found to be more favorable than the antiferromagnetic one if the Cu-d band is spin splitted. Such a process is reminiscent of the conventional RKKY interaction among magnetic impurities embedded in a metal.
Φυσική (EL)
Physics (EN)
semimagnetic semiconductors
superexchange interactions
Physics, Condensed Matter
cobalt
magnetic moments
semiconductor doping
ab initio calculations
Fermi level
II-VI semiconductors
density functional theory
copper
zinc compounds
ferromagnetic materials
gradient methods
English
American Physical Society
Physical Review B
https://creativecommons.org/licenses/by-nc-nd/4.0/deed.el
National Hellenic Research Foundation (NHRF)
Helios - Repository of the National Hellenic Research Foundation (NHRF)



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