Effective spin-mixing conductance of topological-insulator/ferromagnet and heavy-metal/ferromagnet spin-orbit-coupled interfaces: A first-principles Floquet-nonequilibrium Green function approach

Dolui, Kapildeb; Bajpai, Utkarsh; Nikolić, Branislav K.

doi:10.1103/physrevmaterials.4.121201

Title: Effective spin-mixing conductance of topological-insulator/ferromagnet and heavy-metal/ferromagnet spin-orbit-coupled interfaces: A first-principles Floquet-nonequilibrium Green function approach

Journal Article · Thu Dec 17 00:00:00 EST 2020 · Physical Review Materials

DOI:https://doi.org/10.1103/physrevmaterials.4.121201· OSTI ID:1852217

^[1]; Bajpai, Utkarsh ^[1];

^[1]

Univ. of Delaware, Newark, DE (United States)

The spin-mixing conductance (SMC) is a key quantity determining efficiency of spin transport across interfaces. Thus, knowledge of its precise value is required for accurate measurement of parameters quantifying numerous effects in spintronics, such as spin-orbit torque, spin Hall magnetoresistance, spin Hall effect, and spin pumping. However, the standard expression for SMC, provided by the scattering theory in terms of the reflection probability amplitudes, is inapplicable when strong spin-orbit coupling (SOC) is present directly at the interface. This is the precisely the case of topological-insulator/ferromagnet and heavy-metal/ferromagnet interfaces of great contemporary interest. We introduce an approach where first-principles Hamiltonian of these interfaces, obtained from noncollinear density functional theory (ncDFT) calculations, is combined with charge-conserving Floquet-nonequilibrium-Green-function formalism to compute directly the pumped spin current $$I^{S_z}_L$$ into semi-infinite left lead of two-terminal heterostructures Cu/X/Co/Cu or Y/Co/Cu—where X = Bi₂Se₃ and Y = Pt or W—due to microwave-driven steadily precessing magnetization of the Co layer. This allows us to extract an effective SMC as a prefactor in $$I^{S_z}_L$$ versus precession cone angle θ dependence, as long as it remains the same, $$I^{S_z}$$ ∝ sin² θ , as in the case where SOC is absent. By comparing calculations where SOC in switched off versus switched on in ncDFT calculations, we find that SOC consistently reduces the pumped spin current and therefore the effective SMC.

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Research Organization:: Univ. of Delaware, Newark, DE (United States)

Sponsoring Organization:: USDOE Office of Science (SC); National Science Foundation (NSF)

Grant/Contract Number:: SC0016380; ACI-1053575

OSTI ID:: 1852217

Alternate ID(s):: OSTI ID: 1886839

Journal Information:: Physical Review Materials, Vol. 4, Issue 12; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Effective spin-mixing conductance of topological-insulator/ferromagnet and heavy-metal/ferromagnet spin-orbit-coupled interfaces: A first-principles Floquet-nonequilibrium Green function approach

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