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Dominant ferromagnetic coupling over antiferromagnetic in Ni doped ZnO: first-principles calculations

Ul Haq, Bakhtiar and Ahmed, Rashid and Abdellatif, Galila and Shaari, Amiruddin and Butt, Faheem K. and Kanoun, Mohammed Benali and Goumri-Said, Souraya (2016) Dominant ferromagnetic coupling over antiferromagnetic in Ni doped ZnO: first-principles calculations. Frontiers of Physics, 11 (1). pp. 1-7. ISSN 2095-0462

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Official URL: http://dx.doi.org/10.1007/s11467-015-0542-5

Abstract

The low magnetic moment (MM) in diluted magnetic semiconductors (DMS) at low impurity doping levels has triggered considerable research into condensed magnetic semiconductors (CMS).This work reports an ab-initio investigation of the electronic structures and magnetic properties of ZnO in a zinc-blende (ZB) structure doped with nickel ions. Ni-doped ZnO-based DMS and CMS exhibit a dominance of ferromagnetic coupling over antiferromagnetic. A robust increase in the magnetization has been observed as a function of Ni impurity levels. This material favors short-range magnetic interactions at the ground state, suggesting that the observed ferromagnetism is defined by the double exchange mechanism. The spin-polarized density of states (DOS) of Ni-doped ZnO characterizes it as half-metallic with a considerable energy gap for up-spin components and as metallic for-down spins. Half-metallic Ni:ZnO based magnetic semiconductors with high magnetization are expected to have potential applications in spintronics.

Item Type:Article
Subjects:Q Science > QC Physics
Divisions:Science
ID Code:69231
Deposited By: Siti Nor Hashidah Zakaria
Deposited On:22 Nov 2017 08:45
Last Modified:22 Nov 2017 08:45

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