Intrinsic staggered spin-orbit torque for the electrical control of antiferromagnets - application to CrI3.

Spin-orbit torque enables the electrical control of the orientation of ferromagnets' or antiferromagnets' order parameter. In this work we consider antiferromagnets in which the magnetic sublattices are connected by inversion+time reversal symmetry, and in which the exchange and anisotropy energies are similar in magnitude. We identify the staggered dampinglike spin-orbit torque as the key mechanism for electrical excitation of the Néel vector for this case. To illustrate this scenario, we examine the 2-d Van der Waals antiferromagnetic bilayer CrI3, in the n-doped regime. Using a combination of first-principles calculations of the spin-orbit torque and an analysis of the ensuing spin dynamics, we show that the deterministic electrical switching of the Néel vector is the result of dampinglike spin-orbit torque which is staggered on the magnetic sublattices.

Coherent Spin Pumping in a Strongly Coupled Magnon-Magnon Hybrid System.

We experimentally identify coherent spin pumping in the magnon-magnon hybrid modes of yttrium iron garnet/permalloy (YIG/Py) bilayers. By reducing the YIG and Py thicknesses, the strong interfacial exchange coupling leads to large avoided crossings between the uniform mode of Py and the spin wave modes of YIG enabling accurate determination of modification of the linewidths due to the dampinglike torque. We identify additional linewidth suppression and enhancement for the in-phase and out-of-phase hybrid modes, respectively, which can be interpreted as concerted dampinglike torque from spin pumping. Furthermore, varying the Py thickness shows that both the fieldlike and dampinglike couplings vary like 1/sqrt[t_{Py}], verifying the prediction by the coupled Landau-Lifshitz equations.

Imaging the valley and orbital Hall effect in monolayer MoS2.

The topological properties of a material's electronic structure are encoded in its Berry curvature, a quantity which is intimately related to the transverse electrical conductivity. In transition metal dichalcogenides with broken inversion symmetry, the nonzero Berry curvature results in a valley Hall effect. In this paper we identify a previously unrecognized consequence of Berry curvature in these materials: an electric field-induced change in the electrons' charge density orientation. We use first principles calculations to show that measurements of the electric field-induced change in the charge density or local density of states in MoS2 can be used to measure its energy-dependent valley and orbital Hall conductivity.

Theory of Current-Induced Angular Momentum Transfer Dynamics in Spin-Orbit Coupled Systems.

Motivated by the importance of understanding various competing mechanisms to the current-induced spin-orbit torque on magnetization in complex magnets, we develop a theory of current-induced spin-orbital coupled dynamics in magnetic heterostructures. The theory describes angular momentum transfer between different degrees of freedom in solids, e.g., the electron orbital and spin, the crystal lattice, and the magnetic order parameter. Based on the continuity equations for the spin and orbital angular momenta, we derive equations of motion that relate spin and orbital current fluxes and torques describing the transfer of angular momentum between different degrees of freedom, achieved in a steady state under an applied external electric field. We then propose a classification scheme for the mechanisms of the current-induced torque in magnetic bilayers. We evaluate the sources of torque using density functional theory, effectively capturing the impact of the electronic structure on these quantities. We apply our formalism to two different magnetic bilayers, Fe/W(110) and Ni/W(110), which are chosen such that the orbital and spin Hall effects in W have opposite sign and the resulting spin- and orbital-mediated torques can compete with each other. We find that while the spin torque arising from the spin Hall effect of W is the dominant mechanism of the current-induced torque in Fe/W(110), the dominant mechanism in Ni/W(110) is the orbital torque originating in the orbital Hall effect of the non-magnetic substrate. Thus the effective spin Hall angles for the total torque are negative and positive in the two systems. Our prediction can be experimentally identified in moderately clean samples, where intrinsic contributions dominate. This clearly demonstrates that our formalism is ideal for studying the angular momentum transfer dynamics in spin-orbit coupled systems as it goes beyond the "spin current picture" by naturally incorporating the spin and orbital degrees of freedom on an equal footing. Our calculations reveal that, in addition to the spin and orbital torque, other contributions such as the interfacial torque and self-induced anomalous torque within the ferromagnet are not negligible in both material systems.

Unveiling Defect-Mediated Charge-Carrier Recombination at the Nanometer Scale in Polycrystalline Solar Cells.

Solar cells made of polycrystalline thin-films can outperform their single-crystalline counterparts despite the presence of grain boundaries (GBs). To unveil the influence of GBs, high spatial resolution characterization techniques are needed to measure local properties in their vicinity. However, results obtained using single technique may provide limited aspects about the GB effect. Here, we employ two techniques, near-field scanning photocurrent microscopy (NSPM) and scanning transmission electron microscope based cathodoluminescence spectroscopy (STEM-CL), to characterize CdTe solar cells at the nanoscale. The signal contrast from the grain interiors (GIs) to the GBs, for high-efficiency cells where CdTe is deposited at a high substrate temperature (500 °C) and treated by CdCl2, is found reverse from one technique to another. NSPM reveals increased photocurrents at the GBs, while STEM-CL shows reduced CL intensity and energy redshifts of the spectral peak at the GBs. The results are attributed to the increased nonradiative recombination and the band bending mediated by the surface defects and the shallow-level defects at GBs, respectively. We discuss the advantages of sample geometry for room-temperature STEM-CL and present numerical simulations as well as analytical models to extract the ratio of GB recombination velocity to minority carrier diffusivity that can be used for evaluating the GB effect in other polycrystalline solar cells.

Anomalous spin-orbit torques in magnetic single-layer films.

The spin Hall effect couples charge and spin transport1-3, enabling electrical control of magnetization4,5. A quintessential example of spin-Hall-related transport is the anomalous Hall effect (AHE)6, first observed in 1880, in which an electric current perpendicular to the magnetization in a magnetic film generates charge accumulation on the surfaces. Here, we report the observation of a counterpart of the AHE that we term the anomalous spin-orbit torque (ASOT), wherein an electric current parallel to the magnetization generates opposite spin-orbit torques on the surfaces of the magnetic film. We interpret the ASOT as being due to a spin-Hall-like current generated with an efficiency of 0.053 ± 0.003 in Ni80Fe20, comparable to the spin Hall angle of Pt7. Similar effects are also observed in other common ferromagnetic metals, including Co, Ni and Fe. First-principles calculations corroborate the order of magnitude of the measured values. This work suggests that a strong spin current with spin polarization transverse to the magnetization can be generated within a ferromagnet, despite spin dephasing8. The large magnitude of the ASOT should be taken into consideration when investigating spin-orbit torques in ferromagnetic/non-magnetic bilayers.

Sesame: a 2-dimensional solar cell modeling tool.

This work introduces a new software package "Sesame" for the numerical computation of classical semiconductor equations. It supports 1 and 2-dimensional systems and provides tools to easily implement extended defects such as grain boundaries or sample surfaces. Sesame is designed to facilitate fast exploration of the system parameter space and to visualize local charge transport properties. Sesame has been benchmarked against other software packages, and results for single crystal and polycrystalline CdS-CdTe heterojunctions are presented. Sesame is distributed as a Python package or as a standalone GUI application, and is available at https://pages.nist.gov/sesame/.

The effect of luminescent coupling on modulated photocurrent measurements in multijunction solar cells.

Luminescent coupling in multijunction solar cells has a major impact on device response, and its impact on current-voltage and quantum efficiency measurements is well established. However, the role of luminescent coupling in more advanced characterization techniques such as modulated photocurrent spectroscopy is virtually unknown. Here we present measurements of the frequency-dependent photocurrent of a triple junction solar cell with significant coupling between adjacent junctions. We develop an equivalent circuit model that includes luminescent coupling which shows good agreement with the measured frequency response. The model also shows how the system response can elucidate the type of charge carrier recombination in these III-V semiconductor materials.

Thermally driven anomalous Hall effect transitions in FeRh.

Materials exhibiting controllable magnetic phase transitions are currently in demand for many spintronics applications. Here we investigate from first principles the electronic structure and intrinsic anomalous Hall, spin Hall and anomalous Nernst response properties of the FeRh metallic alloy which undergoes a thermally driven antiferromagnetic-to-ferromagnetic phase transition. We show that the energy band structures and underlying Berry curvatures have important signatures in the various Hall effects. Specifically, the suppression of the anomalous Hall and Nernst effects in the AFM state and a sign change in the spin Hall conductivity across the transition are found. It is suggested that the FeRh can be used a spin current detector capable of differentiating the spin Hall effect from other anomalous transverse effects. The implications of this material and its thermally driven phases as a spin current detection scheme are also discussed.

Optical spin transfer and spin-orbit torques in thin film ferromagnets.

We study the optically induced torques in thin film ferromagnetic layers under excitation by circularly polarized light. We study cases both with and without Rashba spin-orbit coupling using a 4-band model. In the absence of Rashba spin-orbit coupling, we derive an analytic expression for the optical torques, revealing the conditions under which the torque is mostly derived from optical spin transfer torque (i.e. when the torque is along the direction of optical angular momentum), versus when the torque is derived from the inverse Faraday effect (i.e. when the torque is perpendicular to the optical angular momentum). We find the optical spin transfer torque dominates provided that the excitation energy is far away from band edge transitions, and the magnetic exchange splitting is much greater than the lifetime broadening. For the case with large Rashba spin-orbit coupling and out-of-plane magnetization, we find the torque is generally perpendicular to the photon angular momentum and is ascribed to an optical Edelstein effect.

Depletion region surface effects in electron beam induced current measurements.

Electron beam induced current (EBIC) is a powerful characterization technique which offers the high spatial resolution needed to study polycrystalline solar cells. Current models of EBIC assume that excitations in the p-n junction depletion region result in perfect charge collection efficiency. However we find that in CdTe and Si samples prepared by focused ion beam (FIB) milling, there is a reduced and nonuniform EBIC lineshape for excitations in the depletion region. Motivated by this, we present a model of the EBIC response for excitations in the depletion region which includes the effects of surface recombination from both charge-neutral and charged surfaces. For neutral surfaces we present a simple analytical formula which describes the numerical data well, while the charged surface response depends qualitatively on the location of the surface Fermi level relative to the bulk Fermi level. We find the experimental data on FIB-prepared Si solar cells is most consistent with a charged surface, and discuss the implications for EBIC experiments on polycrystalline materials.

Antiferromagnetic Domain Wall Motion Driven by Spin-Orbit Torques.

We theoretically investigate the dynamics of antiferromagnetic domain walls driven by spin-orbit torques in antiferromagnet-heavy-metal bilayers. We show that spin-orbit torques drive antiferromagnetic domain walls much faster than ferromagnetic domain walls. As the domain wall velocity approaches the maximum spin-wave group velocity, the domain wall undergoes Lorentz contraction and emits spin waves in the terahertz frequency range. The interplay between spin-orbit torques and the relativistic dynamics of antiferromagnetic domain walls leads to the efficient manipulation of antiferromagnetic spin textures and paves the way for the generation of high frequency signals from antiferromagnets.

Interfacial magnetic anisotropy from a 3-dimensional Rashba substrate.

We study the magnetic anisotropy which arises at the interface between a thin film ferromagnet and a 3-d Rashba material. We use a tight-binding model to describe the bilayer, and the 3-d Rashba material characterized by the spin-orbit strength α and the direction of broken bulk inversion symmetry n̂. We find an in-plane uniaxial anisotropy in the z × n̂ direction, where z is the interface normal. For realistic values of α, the uniaxial anisotropy is of a similar order of magnitude as the bulk magnetocrystalline anisotropy. Evaluating the uniaxial anisotropy for a simplified model in 1-d shows that for small band filling, the in-plane easy axis anisotropy scales as α4 and results from a twisted exchange interaction between the spins in the 3-d Rashba material and the ferromagnet. For a ferroelectric 3-d Rashba material, n̂ can be controlled with an electric field, and we propose that the interfacial magnetic anisotropy could provide a mechanism for electrical control of the magnetic orientation.

k-asymmetric spin-splitting at the interface between transition metal ferromagnets and heavy metals.

We systematically investigate the spin-orbit coupling-induced band splitting originating from inversion symmetry breaking at the interface between a Co monolayer and 4d (Tc, Ru, Rh, Pd, and Ag) or 5d (Re, Os, Ir, Pt, and Au) transition metals. In spite of the complex band structure of these systems, the odd-in-k spin splitting of the bands displays striking similarities with the much simpler Rashba spin-orbit coupling picture. While we do not find salient correlations between the interfacial magnetic anisotropy and the odd-in-k spin-splitting of the bands, we establish a clear connection between the overall strength of the band splitting and the charge transfer between the d-orbitals at the interface. Furthermore, we show that the spin splitting of the Fermi surface scales with the induced orbital moment, weighted by the spin-orbit coupling.

Optical Spintronics in Organic-Inorganic Perovskite Photovoltaics.

Organic-inorganic halide CH3NH3PbI3 solar cells have attracted enormous attention in recent years due to their remarkable power conversion efficiency. When inversion symmetry is broken, these materials should exhibit interesting spin-dependent properties as well, owing to their strong spin-orbit coupling. In this work, we consider the spin-dependent optical response of CH3NH3PbI3. We first use density functional theory to compute the ballistic spin current generated by absorption of unpolarized light. We then consider diffusive transport of photogenerated charge and spin for a thin CH3NH3PbI3 layer with a passivated surface and an Ohmic, non-selective contact. The spin density and spin current are evaluated by solving the drift-diffusion equations for a simplified 3-dimensional Rashba model of the electronic structure of the valence and conduction bands. We provide analytic expressions for the photon flux required to induce measurable spin densities, and propose that these spin densities can provide useful information about the role of grain boundaries in the photovoltaic behavior of these materials. We also discuss the prospects for measuring the optically generated spin current with the inverse spin Hall effect.

Probing surface recombination velocities in semiconductors using two-photon microscopy.

The determination of minority-carrier lifetimes and surface recombination velocities is essential for the development of semiconductor technologies such as solar cells. The recent development of two-photon time-resolved microscopy allows for better measurements of bulk and subsurface interfaces properties. Here we analyze the diffusion problem related to this optical technique. Our three-dimensional treatment enables us to separate lifetime (recombination) from transport effects (diffusion) in the photoluminescence intensity. It also allows us to consider surface recombination occurring at a variety of geometries: a single plane (representing an isolated exposed or buried interface), two parallel planes (representing two inequivalent interfaces), and a spherical surface (representing the enclosing surface of a grain boundary). We provide fully analytical results and scalings directly amenable to data fitting, and apply those to experimental data collected on heteroepitaxial CdTe/ZnTe/Si.

Circular Photogalvanic Effect in Organometal Halide Perovskite CH3NH3PbI3.

We study the circular photogalvanic effect in the organometal halide perovskite solar cell absorber CH3NH3PbI3. The calculated photocurrent density for a system with broken inversion symmetry is about 10-9 A/W, comparable to the previously studied quantum well and bulk Rashba systems. The circular photogalvanic effect relies on inversion symmetry breaking, so that by tuning the optical penetration depth, the degree of inversion symmetry breaking can be probed at different depths from the sample surface. We propose that measurements of this effect may clarify the presence or absence of inversion symmetry, which remains a controversial issue and has been argued to play an important role in the high conversion efficiency of this material.

Charged grain boundaries reduce the open-circuit voltage of polycrystalline solar cells-An analytical description.

Analytic expressions are presented for the dark current-voltage relation J(V ) of a pn+ junction with positively charged columnar grain boundaries with high defect density. These expressions apply to non-depleted grains with sufficiently high bulk hole mobilities. The accuracy of the formulas is verified by direct comparison to numerical simulations. Numerical simulations further show that the dark J(V ) can be used to determine the open-circuit potential Voc of an illuminated junction for a given short-circuit current density Jsc. A precise relation between the grain boundary properties and Voc is provided, advancing the understanding of the influence of grain boundaries on the efficiency of thin film polycrystalline photovoltaics like CdTe and Cu(In, Ga)Se2.

Electron beam induced current in the high injection regime.

Electron beam induced current (EBIC) is a powerful technique which measures the charge collection efficiency of photovoltaics with sub-micron spatial resolution. The exciting electron beam results in a high generation rate density of electron-hole pairs, which may drive the system into nonlinear regimes. An analytic model is presented which describes the EBIC response when the total electron-hole pair generation rate exceeds the rate at which carriers are extracted by the photovoltaic cell, and charge accumulation and screening occur. The model provides a simple estimate of the onset of the high injection regime in terms of the material resistivity and thickness, and provides a straightforward way to predict the EBIC lineshape in the high injection regime. The model is verified by comparing its predictions to numerical simulations in one- and two-dimensions. Features of the experimental data, such as the magnitude and position of maximum collection efficiency versus electron beam current, are consistent with the three-dimensional model.

Design considerations for enhancing absorption in semiconductors on metals through surface plasmon polaritons.

Surface plasmon polaritons have attracted attention for energy applications such as photovoltaic and photoelectrochemical cells because of their ability to improve optical absorption in thin films. We show that surface plasmon polaritons enhance absorption most significantly in materials with small positive real permittivity and large positive imaginary permittivity, e.g. organics or CdTe. Additional losses, accounting for dissipation in the metal and the existence of a cutoff frequency above which polaritons are no longer bound, are incorporated into efficiency calculations. Owing to these losses, devices with optical absorption based solely on SPPs will necessarily always have a lower efficiency than that predicted by the Shockley-Queisser limit. Calculations are presented for specific materials, including crystalline and amorphous Si, GaAs, CdTe, a P3HT:PCBM blend, α-Fe2O3 and rutile TiO2, as well as for general materials of arbitrary permittivity. Guidelines for selecting absorber materials and determining whether specific materials are good candidates for improving optical absorption with SPPs are presented.