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Transmission through correlated CunCoCun heterostructures

Abstract : We propose a method to compute the transmission through correlated heterostructures by combining density functional and many-body dynamical mean field theories. The heart of this combination consists in porting the many-body self-energy from an all electron basis into a pseudopotential localized atomic basis set. Using this combination we study the effects of local electronic interactions and finite temperatures on the transmission across the Cu4CoCu4 metallic heterostructure. It is shown that as the electronic correlations are taken into account via a local but dynamic self-energy, the total transmission at the Fermi level gets reduced (predominantly in the minority-spin channel), whereby the spin polarization of the transmission increases. The latter is due to a more significant d-electron contribution, as compared to the noncorrelated case in which the transport is dominated by s and p electrons.
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PhysRevB.92.054431.pdf
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L. Chioncel, C. Morari, A. Ostlin, W. H. Appelt, A. Droghetti, et al.. Transmission through correlated CunCoCun heterostructures. Physical Review B: Condensed Matter and Materials Physics, American Physical Society, 2015, 92 (5), ⟨10.1103/PhysRevB.92.054431⟩. ⟨hal-01515449⟩

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