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Register a new userImplementation of a non-equilibrium Greens function method to calculate spin transfer torque
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We present an implementation of the steady state Keldysh approach in a Greens function multiple scattering scheme to calculate the non-equilibrium spin density. This density is used to obtain the spin transfer torque in junctions showing the magnetoresistance effect. We use our implementation to study the spin transfer torque in metallic Co/Cu/Co junctions.
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In this work, an analytic model is proposed which provides in a continuous manner the current-voltage characteristic (I-V) of high performance tunneling field-effect transistors (TFETs) based on direct bandgap semiconductors. The model provides closed-form expressions for I-V based on: 1) a modified version of the well-known Fowler-Nordheim (FN) formula (in the ON-state), and 2) an equation which describes the OFF-state performance while providing continuity at the ON/OFF threshold by means of a term introduced as the continuity factor. It is shown that traditional approaches such as FN are accurate in TFETs only through correct evaluation of the total band bending distance and the tunneling effective mass. General expressions for these two key parameters are provided. Moreover, it is demonstrated that the tunneling effective mass captures both the ellipticity of evanescent states and the dual (electron/hole) behavior of the tunneling carriers, and it is further shown that such a concept is even applicable to semiconductors with nontrivial energy dispersion. Ultimately, it is found that the I-V characteristics obtained by using this model are in close agreement with state-of-the-art quantum transport simulations both in the ON- and OFF-state, thus providing validation of the analytic approach.
The understanding and modeling of inelastic scattering of thermal phonons at a solid/solid interface remain an open question. We present a fully quantum theoretical scheme to quantify the effect of anharmonic phonon-phonon scattering at an interface via non-equilibrium Greens function (NEGF) formalism. Based on the real-space scattering rate matrix, a decomposition of the interfacial spectral energy exchange is made into contributions from local and non-local anharmonic interactions, of which the former is shown to be predominant for high-frequency phonons whereas both are important for low-frequency phonons. The anharmonic decay of interfacial phonon modes is revealed to play a crucial role in bridging the bulk modes across the interface. The overall quantitative contribution of anharmonicity to thermal boundary conductance is found to be moderate. The present work promotes a deeper understanding of heat transport at the interface and an intuitive interpretation of anharmonic phonon NEGF formalism.
We present a novel ab initio non-equilibrium approach to calculate the current across a molecular junction. The method rests on a wave function based description of the central region of the junction combined with a tight binding approximation for the electrodes in the frame of the Keldysh Greens function formalism. In addition we present an extension so as to include effects of the two-particle propagator. Our procedure is demonstrated for a dithiolbenzene molecule between silver electrodes. The full current-voltage characteristic is calculated. Specific conclusions for the contribution of correlation and two-particle effects are derived. The latter are found to contribute about 5% to the current. The order of magnitude of the current coincides with experiments.
The consequences of coupling magnetic and elastic degrees of freedom, where spins and deformations are carried by point-like objects subject to local interactions, are studied, theoretically and by detailed numerical simulations. From the constrained Lagrangians we derive consistent equations of motion for the coupled dynamical variables. In order to probe the dynamics of such a system, we consider external perturbations, such as spin transfer torques for the magnetic part, and homogeneous stresses for the elastic part, associated to their corresponding damping. This approach is applied to the study of ultrafast switching processes in anti-ferromagnetic systems, which have recently attracted attention as candidates for anti-ferromagnetic spintronic devices. Our strategy is then checked in simple, but instructive, situations. We carried out numerical experiments to study, in particular, how the magnetostrictive coupling and external stresses affect the nature of the switching processes in a prototype anti-ferromagnetic material.
Ferromagnetic spin-valves and tunneling junctions are crucial for spintronics applications and are one of the most fundamental spintronics devices. Motivated by the potential unique advantages of antiferromagnets for spintronics, we theoretically study here junctions built out of non-collinear antiferromagnets. We demonstrate a large and robust magnetoresistance and spin-transfer torque capable of ultrafast switching between parallel and anti-parallel states of the junction. In addition, we show that the non-collinear order results in a spin-transfer torque that is in several key aspects different from the spin-transfer torque in ferromagnetic junctions.
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