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

doi:10.1007/s11467-015-0542-5

Front. Phys.

2016, Vol. 11

Issue (1) : 117101 https://doi.org/10.1007/s11467-015-0542-5

RESEARCH ARTICLE

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

Bakhtiar Ul Haq^1,²,Rashid Ahmed^1,^*(

),Galila Abdellatif⁵,Amiruddin Shaari¹,Faheem K. Butt^3,⁴,Mohammed Benali Kanoun⁶,Souraya Goumri-Said^6,^*(

)

1. Department of Physics, Faculty of Science, UniversitiTeknologi Malaysia, UTM Skudai, Johor 81310, Malaysia
2. Department of Physics, Sungkyunkwan University, Suwon 440-746, Korea
3. Physik-Department ECS, Technische Universität München, James-Franck-Straße 1, 85748 Garching, Germany
4. Department of Physics, The University of Lahore, 1-KM Defence Road, Lahore, Pakistan
5. Department of Physics, Faculty of Science, Cairo University, Giza Egypt
6. Physics Department, College of Science, AlFaisal University, P.O. Box 50927, Riyadh 11533, Saudi Arabia

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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.

Keywords ZnO diluted magnetic semiconductors ab-initio calculations electronic structure magnetic properties

Fund:

Corresponding Author(s): Rashid Ahmed,Souraya Goumri-Said

Online First Date: 18 January 2016 Issue Date: 01 February 2016

Cite this article:

Faheem K. Butt,Mohammed Benali Kanoun,Souraya Goumri-Said, et al. Dominant ferromagnetic coupling over antiferromagnetic in Ni doped ZnO: First-principles calculations[J]. Front. Phys. , 2016, 11(1): 117101.

URL:

https://academic.hep.com.cn/fop/EN/10.1007/s11467-015-0542-5
https://academic.hep.com.cn/fop/EN/Y2016/V11/I1/117101

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