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Issue 14, 2013
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Virtual half-metallicity at the CoS2/FeS2 interface induced by strain

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Abstract

Spin polarized ab initio calculations based on density functional theory are performed to investigate the electronic and magnetic properties of the interface between the ferromagnetic metal CoS2 and the nonmagnetic semiconductor FeS2. Relaxation of the interface structure is taken into account by atomic force minimization. We find that both Co and Fe are close to half-metallicity at the interface. Tensile strain is shown to strongly enhance the spin polarization so that a virtually half-metallic interface can be achieved, for comparably moderate strain.

Graphical abstract: Virtual half-metallicity at the CoS2/FeS2 interface induced by strain

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Publication details

The article was received on 17 Sep 2012, accepted on 07 Feb 2013 and first published on 08 Feb 2013


Article type: Communication
DOI: 10.1039/C3RA22184A
Citation: RSC Adv., 2013,3, 4518-4522
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    Virtual half-metallicity at the CoS2/FeS2 interface induced by strain

    S. Nazir and U. Schwingenschlögl, RSC Adv., 2013, 3, 4518
    DOI: 10.1039/C3RA22184A

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