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Volume 37 Issue 4 June 2014 pp 805-808
Study of Cu-doping effects on magnetic properties of Fe-doped ZnO by first principle calculations
A El Amiri H Lassri M Abid E K Hlil
Using ab
initio calculations on Zn0.975–𝑥Fe0.025Cu𝑥O (𝑥 = 0, 0.01, 0.02, 0.05), we study the variations of magnetic moments vs Cu concentration. The electronic structure is calculated by using the Korringa–Kohn–Rostoker (KKR) method combined with coherent potential approximation (CPA). We show that the total magnetic moment and magnetic moment of Fe increase on increasing Cu content. From the density of state (DOS) analysis, we show that Cu-induced impurity bands can assure, by two mechanisms, the enhancement of Fe magnetic moment in Zn0.975–𝑥Fe0.025Cu𝑥O. -
Volume 39 Issue 1 February 2016 pp 315-319
Explanation of ferromagnetism origin in N-doped ZnO by first-principle calculations
A El Amiri H Lassri E K Hlil M Abid
By $ab-initio$ calculations, the possible source of ferromagnetism in N-doped ZnO compound was systematically studied. The electronic structure and magnetic properties of N-doped ZnO with/without ZnO host and N defects were investigated using the Korringa–Kohn–Rostoker method combined with coherent potential approximation. It was shown that Zn vacancy and the presence of N defects (substitutional, interstitial or combination of both) induce the ferromagnetism in N-doped ZnO. From density of state analysis, it was shown that p–p interaction between 2p-elements (N,O) is the mechanism of ferromagnetic coupling in N-doped ZnO.
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Bulletin of Materials Science
Volume 44, 2021
All articles
Continuous Article Publishing mode
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Bulletin of Materials Science | News
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Dr Shanti Swarup Bhatnagar for Science and Technology
Posted on October 12, 2020Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
Chemical Sciences 2020Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
Physical Sciences 2020 -
Editorial Note on Continuous Article Publication
Posted on July 25, 2019Click here for Editorial Note on CAP Mode
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