Virtual half-metallicity at the CoS₂/FeS₂ interface induced by strain
2013
Nazir, S. | Schwingenschlögl, U.
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.
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