Non-equilibrium Green’s Function Methods for Spin Transport and Dynamics
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The modeling of spintronic devices is a theoretical challenge, since one has to describe accurately both the electronic structure of the constituent materials and their charge- and spin-transport properties. In this chapter we present the state-of-the-art quantum transport theory appropriate for this task. The theory is based on the so-called non-equilibrium Green’s function formalism, which is combined with density functional theory in order to provide a first principles description of materials properties. This allows for the evaluation of the steady-state charge and spin current through a quantum system at a finite applied bias voltage between the electrodes. It also describes the spin-transfer torque that flowing spins exert on localized magnetic moments, which is able to switch the magnetization of a magnetic system. In this chapter the detailed discussion about the principal methodological aspects is accompanied by the review of a number of technologically relevant applications.
I. R. acknowledges financial support from the European Unions Horizon2020 research and innovation program within the PETMEM project (Grant Agreement No. 688282). A. D. was supported from the EU via the Marie Sklodowska-Curie Individual Fellowship SPINMAN (No. SEP-210189940). M. S. gratefully acknowledges funding from Science Foundation Ireland (Grant No. 16/US-C2C/3287). We thank ICHEC and the TCHPC for the provision of computational facilities.
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