Nonequilibrium spin texture within a thin layer below the surface of current-carrying topological insulator Bi$_2$Se$_3$: A first-principles quantum transport study
Po-Hao Chang, Troels Markussen, Søren Smidstrup, Kurt Stokbro, Branislav K. Nikolić
We predict that unpolarized charge current injected into a ballistic thin film of prototypical topological insulator (TI) Bi$_2$Se$_3$ will generate a {\it noncollinear spin texture} $\mathbf{S}(\mathbf{r})$ on its surface. Furthermore, the nonequilibrium spin texture will extend into $\simeq 2$ nm thick layer below the TI surfaces due to penetration of evanescent wavefunctions from the metallic surfaces into the bulk of TI. Averaging $\mathbf{S}(\mathbf{r})$ over few Å along the longitudinal direction defined by the current flow reveals large component pointing in the transverse direction. In addition, we find an order of magnitude smaller out-of-plane component when the direction of injected current with respect to Bi and Se atoms probes the largest hexagonal warping of the Dirac-cone dispersion on TI surface. Our analysis is based on an extension of the nonequilibrium Green functions combined with density functional theory (NEGF+DFT) to situations involving noncollinear spins and spin-orbit coupling. We also demonstrate how DFT calculations with properly optimized local orbital basis set can precisely match putatively more accurate calculations with plane-wave basis set for the supercell of Bi$_2$Se$_3$.
Spin-polarized electron transport driven by inhomogeneous magnetic dynamics is discussed in the limit of a large exchange coupling. Electron spins rigidly following the time-dependent magnetic profile experience spin-dependent fictitious electric and magnetic fields. We show that the electric field acquires important corrections due to spin dephasing, when one relaxes the spin-projection approximation. Furthermore, spin-flip scattering between the spin bands needs to be taken into account in order to calculate voltages and spin accumulations induced by the magnetic dynamics. A phenomenological…
Nonequilibrium quantum dynamics of many-body systems is the frontier of condensed matter physics; recent advances in various time-resolved spectroscopic techniques continue to reveal rich phenomena. Angle-resolved photoemission spectroscopy (ARPES) as one powerful technique can resolve electronic energy, momentum, and spin along the time axis after excitation. However, dynamics of spin textures in momentum space remains mostly unexplored. Here we demonstrate theoretically that the photoexcited surface state of genuine or magnetically doped topological insulators shows novel topological spin te…
The Josephson current through a long s-wave superconductor/weak ferromagnet/s-wave superconductor weak link is studied theoretically in the regime of nonequilibrium spin-dependent occupation of electron states in the ferromagnetic intelayer. While under the considered nonequilibrium condition the standard supercurrent, carried by the singlet part of current-carrying density of states, is not modified, the additional supercurrent flowing via the triplet part of the current-carrying density of states appears. Depending on voltage, controlling the particular form of spin-dependent nonequilibrium …
We consider the nonequilibrium quantum vibrations of a molecule clamped between two macroscopic leads in a current-carrying state at finite voltages. Our approach is based on the nonequilibrium Green function technique and the self-consistent Born approximation. Kinetic equations for the average populations of electrons and vibrons are formulated in the weak electron-vibron coupling case and self-consistent solutions are obtained. The effects of vibron emission and vibronic instability are demonstrated using few-orbital models. The importance of the electron-vibron resonance is shown.
We consider the radiation of angular momentum (AM) from current-carrying molecular junctions. Using the nonequilibrium Green's function method, we derive a convenient formula for the AM radiation and apply it to a prototypical benzene molecule junction. We discuss the selection rules for inelastic transitions between the molecular angular momentum eigenstates due to a 6-fold rotational symmetry. Our study provides important insights into the generation of light with AM from DC-biased molecular junctions.
In this paper, spin-dependent transport through a spin diode composed of a quantum dot coupled to a normal metal and a ferromagnetic lead is studied. The current polarization and the spin accumulation are analyzed using the equations of motion method within the nonequilibrium Green's function formalism. We present a suitable method for computing Green's function without carrying out any self-consistent calculation. The influence of coupling strength and magnetic field on the spin current is studied and observed that this device cannot work as a spin diode under certain conditions.
We show that a current-carrying coherent electron conductor can be treated as effective bosonic energy reservoir involving different types of electron-hole pair excitation. For weak electron-boson coupling, hybrid energy transport between nonequilibrium electrons and bosons can be described by a Landauer-like formula. This allows for unified account of a variety of heat transport problems in hybrid electron-boson systems. As applications, we study the non-reciprocal heat transport between electrons and bosons, thermoelectric current from a cold-spot and electronic cooling of the bosons. Our un…
We discuss the use of tunneling electron current to control and catalyze chemical reactions. Assuming the separation of time scales for electronic and nuclear dynamics we employ the Langevin equation for the reaction coordinate. The Langevin equation contains current-induced forces and is used to define nonequilibrium, effective potential energy surface for current-carrying molecular systems. The current-induced forces are computed via Keldysh nonequilibrium Green's functions. Once the nonequilibrium, current-depended potential energy surface is defined, the chemical reaction is modeled as an …
We provide a general procedure to calculate the current-induced spin-transfer torque which acts on a general steep magnetic texture due to the exchange interaction with an applied spin-polarized current. As an example, we consider a one-dimensional ferromagnetic quantum wire and also include a Rashba spin-orbit interaction. The spin-transfer torque becomes generally spatially non-local. Likewise, the Rashba spin-orbit interaction induces a spatially nonlocal field-like nonequilibrium spin-transfer torque. We also find a spatially varying nonadiabaticity parameter and markedly different domain …
We propose a scheme for calculation of linear optical response of current-carrying molecular junctions for the case when electronic tunneling through the junction is much faster than characteristic time of external laser field. We discuss relationships between nonequilibrium Green function (NEGF) and time-dependent density functional theory (TDDFT) approaches, and derive expressions for optical response and linear polarizability within NEGF-TDDFT scheme. Corresponding results for isolated molecule, derived within TDDFT approach previously, are reproduced when coupling to contacts is neglected.
We report an extended family of spin textures in coexisting modes of zero-dimensional polariton condensates spatially confined in tunable open microcavity structures. The coupling between photon spin and angular momentum, which is enhanced in the open cavity structures, leads to new eigenstates of the polariton condensates carrying quantised spin vortices. Depending on the strength and anisotropy of the cavity confinement potential and the strength of the spin-orbit coupling, which can be tuned via the excitonic/photonic fractions, the condensate emissions exhibit either spin-vortex-like patte…
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With this work we investigate the stationary nonequilibrium density matrix of current carrying nonequilibrium steady states of in-between quantum systems that are connected to reservoirs. We describe the analytical procedure to obtain the explicit result for the reduced density matrix of quantum transport when the system, the connecting reservoirs and, as well, the system-reservoir interactions are described by quadratic Hamiltonians. Our procedure is detailed for both, electronic transport described by the tight-binding Hamiltonian and for phonon transport described by harmonic Hamiltonians. …
Experiments observing spin density and spin currents (responsible for, e.g., spin-transfer torque) in spintronic devices measure only the nonequilibrium contributions to these quantities, typically driven by injecting unpolarized charge current or by applying external time-dependent fields. On the other hand, theoretical approaches to calculate them operate with both the nonequilibrium (carried by electrons around the Fermi surface) and the equilibrium (carried by the Fermi sea electrons) contributions. Thus, an unambiguous procedure should remove the equilibrium contributions, thereby renderi…
A quantum quench is a nonequilibrium dynamics governed by the unitary evolution. We propose a two-band model whose quench dynamics is characterized by an arbitrary Hopf number belonging to the homotopy group $π_{3}(S^{2})=\mathbb{Z}$. When we quench a system from an insulator with the Chern number $C_{i}\in π_{2}(S^{2})=\mathbb{Z}$ to another insulator with the Chern number $C_{f} $, the preimage of the Hamiltonian vector forms links having the Hopf number $C_{f}-C_{i}$. We also investigate a quantum-quench dynamics for a four-band model carrying an arbitrary second-Chern number $N\in π_{4}(S^…
The bilayer heterostructures composed of an ultrathin ferromagnetic metal (FM) and a material hosting strong spin-orbit (SO) coupling are principal resource for SO torque and spin-to-charge conversion nonequilibrium effects in spintronics. We demonstrate how hybridization of wavefunctions of Co layer and a monolayer of transition metal dichalcogenides (TMDs)---such as semiconducting MoSe$_2$ and WSe$_2$ or metallic TaSe$_2$---can lead to dramatic transmutation of electronic and spin structure of Co within some distance away from its interface with TMD, when compared to the bulk of Co or its su…
Photoinduced nonequilibrium spin structure is examined in the double-exchange model, in which itinerant electrons couple with localized spins through the ferromagnetic Hund coupling. In particular, we focus on the transient spin structure from the initial ferromagnetic metallic state to the steady antiferromagnetic ordered state reported in [Phys. Rev. Lett. 119, 207202 (2017)]. By solving the Schrödinger equation combined with the Landau-Lifshitz-Gilbert equation, we find finite winding number and chirality, which implies emergence of topological chiral spin textures. These observations are r…
Topological insulators with the time reversal symmetry broken exhibit strong magnetoelectric and magneto-optic effects. While these effects are well-understood in or near equilibrium, nonequilibrium physics is richer yet less explored. We consider a topological insulator thin film, weakly coupled to a ferromagnet, out of thermal equilibrium with a cold environment (quantum electrodynamics vacuum). We show that the heat flow to the environment is strongly circularly polarized, thus carrying away angular momentum and exerting a purely fluctuation-driven torque on the topological insulator film. …
We present a simple, first principles scheme for calculating mechanical properties of nonequilibrium bulk systems assuming an ideal ballistic distribution function for the electronic states described by the external voltage bias. This allows for fast calculations of estimates of the current-induced stresses inside bulk systems carrying a ballistic current. The stress is calculated using the Hellmann-Feynman theorem, and is in agreement with the derivative of the nonequilibrium free energy. We illustrate the theory and present results for one-dimensional (1D) metal chains. We find that the susc…
We predict that a single oscillation of a strong optical pulse can significantly populate the surface conduction band of a three-dimensional topological insulator, Bi2Se3. Both linearly- and circularly-polarized pulses generate chiral textures of interference fringes of population in the surface Brillouin zone. These fringes constitute a self-referenced electron hologram carrying information on the topology of the surface Bloch bands, in particular, on the effect of the warping term of the low-energy Hamiltonian. These electron-interference phenomena are in a sharp contrast to graphene where t…
Spin superfluidity, i.e., coherent spin transport mediated by topologically stable textures, is limited by parasitic anisotropies rooted in relativistic interactions and spatial inhomogeneities. Since structural disorder in amorphous magnets can average out the effect of these undesired couplings, we propose this class of materials as platforms for superfluid spin transport. We establish nonlinear equations describing the hydrodynamics of spin in insulating amorphous magnets, where the currents are defined in terms of coherent rotations of a noncollinear texture. Our theory includes dissipatio…
Motivated by recent pump-probe spectroscopies, we study the effect of phonon dissipation and potential cooling on the nonequilibrium distribution function in a Floquet topological state. To this end, we apply a Floquet kinetic equation approach to study two dimensional Dirac fermions irradiated by a circularly polarized laser, a system which is predicted to be in a laser induced quantum Hall state. We find that the initial electron distribution shows an anisotropy with momentum dependent spin textures whose properties are controlled by the switching-on protocol of the laser. The phonons then s…
We develop a numerical procedure to efficiently model the nonequilibrium steady state of one-dimensional arrays of open quantum systems, based on a matrix-product operator ansatz for the density matrix. The procedure searches for the null eigenvalue of the Liouvillian superoperator by sweeping along the system while carrying out a partial diagonalization of the single-site stationary problem. It bears full analogy to the density-matrix renormalization group approach to the ground state of isolated systems, and its numerical complexity scales as a power law with the bond dimension. The method b…
Patterning nanomagnets in three-dimensions presents a new paradigm in condensed matter physics and allows access to a plethora of fundamental phenomena including robust spin textures, magnetic metamaterials that are home to defects carrying magnetic charge and ultrahigh density devices that store information in three-dimensions. However, the nanostructuring of functional magnetic materials into complex three-dimensional geometries has thus far proven to be a formidable challenge. Here we show magnetic nanowires can be arranged into 3D frustrated magnetic nanowire lattices by using a combinatio…
We present here the details of a method [A. B. Culver and N. Andrei, Phys. Rev. B 103, L201103 (2021)] for calculating the time-dependent many-body wavefunction that follows a local quench. We apply the method to the voltage-driven nonequilibrium Kondo model to find the exact time-evolving wavefunction following a quench where the dot is suddenly attached to the leads at $t=0$. The method, which does not use Bethe ansatz, also works in other quantum impurity models and may be of wider applicability. We show that the long-time limit (with the system size taken to infinity first) of the time-evo…
Using femtosecond time- and angle- resolved photoemission spectroscopy, we investigated the nonequilibrium dynamics of the topological insulator Bi2Se3. We studied p-type Bi2Se3, in which the metallic Dirac surface state and bulk conduction bands are unoccupied. Optical excitation leads to a meta-stable population at the bulk conduction band edge, which feeds a nonequilibrium population of the surface state persisting for >10ps. This unusually long-lived population of a metallic Dirac surface state with spin texture may present a channel in which to drive transient spin-polarized currents.
The reentrant integer quantum Hall effects (RIQHE) are due to formation of electronic crystals. We show analytically and numerically that topological textures in the charge density distribution in these crystals in the vicinity of charged defects strongly reduce energy required for current-carrying excitations. The theory quantitatively explains sharp insulator-metal transitions experimentally observed in RIQHE states. The insulator to metal transition in RIQHE emerges as a thermodynamic unbinding transition of topological charged defects.
We report on results of nonequilibrium transport measurements made on thin films of germanium-telluride (Ge_xTe) at cryogenic temperatures. Owing to a rather large deviation from stoichiometry (app. 10% of Ge vacancies), these films exhibit p-type conductivity with carrier-concentration N>10^20cm^(-3) and can be made either in the diffusive or strongly-localized regime by a judicious choice of preparation and post-treatment conditions. In both regimes the system shows persistent photoconductivity following excitation by a brief exposure to infrared radiation. Persistent photoconductivity is al…
We predict that a temperature gradient can induce a magnon-mediated intrinsic torque and a transverse spin current in systems with non-trivial magnon Berry curvature. With the help of a microscopic linear response theory of nonequilibrium magnon-mediated torques and spin currents we identify the interband and intraband components that manifest in ferromagnets with Dzyaloshinskii-Moriya interactions and magnetic textures. To illustrate and assess the importance of such effects, we apply our theory to the magnon-mediated spin Nernst and torque responses in a kagome lattice ferromagnet.
Magnetic skyrmions, topologically protected vortex-like configurations in spin textures, are of wide conceptual and practical appeal for quantum information technologies, notably in relation to the making of so-called race-track memory devices. Skyrmions can be created, steered and destroyed with magnetic fields and/or (spin) currents. Here we focus on the latter mechanism, analyzed via a microscopic treatment of the skyrmion-current interaction. The system we consider is an isolated skyrmion in a square-lattice cluster, interacting with electrons spins in a current-carrying quantum wire. For …
Employing the nonequilibrium Green's function method, we develop a fully quantum mechanical model to study the coupled electron-phonon transport in one-dimensional atomic junctions in the presence of a weak electron-phonon interaction. This model enables us to study the electronic and phononic transport on an equal footing. We derive the electrical and energy currents of the coupled electron-phonon system and the energy exchange between them. As an application, we study the heat dissipation in current carrying atomic junctions within the self-consistent Born approximation, which guarantees ene…
We show that superconducting correlations in the presence of non-zero condensate velocity can mediate the peculiar interaction between localized spins that breaks the global inversion symmetry of magnetic moments. The proposed interaction mechanism is capable of removing fundamental degeneracies between topologically distinct magnetic textures. For the generic system of three magnetic impurities in the current-carrying superconductor we find the energy term proportional to spin chirality. In realistic superconductor/ferromagnetic/superconductor setups we reveal significant energy differences b…
A topologically ordered material is characterized by a rare quantum organization of electrons that evades the conventional spontaneously broken symmetry based classification of condensed matter. Exotic spin transport phenomena such as the dissipationless quantum spin Hall effect have been speculated to originate from a novel topological order whose identification requires a spin sensitive measurement. Using Spin-resolved-ARPES, we probe the spin degrees of freedom and demonstrate that topological quantum numbers are uniquely determined from spin-texture Berry Phase imaging measurements. Applyi…
We study nonequilibrium transport through a charge Kondo device realizing the two-channel Kondo critical point in a recent experiment by Iftikhar et al. By computing the current and shot noise at low voltages near the critical point, we obtain a universal Fano factor $e^*/e=1/2$. We identify elementary transport processes as weak scattering of emergent fermions carrying half-integer charge quantum numbers. This forms an experimental fingerprint for fractionalization in a non-Fermi liquid, which, compared to spin-Kondo devices, could be observed at elevated temperatures.
A magnetic bimeron is a topologically non-trivial spin texture carrying an integer topological charge, which can be regarded as the counterpart of skyrmion in easy-plane magnets. The controllable creation and manipulation of bimerons are crucial for practical applications based on topological spin textures. Here, we analytically and numerically study the dynamics of an antiferromagnetic bimeron driven by a spin current. Numerical simulations demonstrate that the spin current can create an isolated bimeron in the antiferromagnetic thin film via the damping-like spin torque. The spin current can…
We investigate the topological change of a Belavin-Polyakov skyrmion under the action of a spin-polarized current. The dynamics is described by the Schrödinger equation for the electrons carrying the current coupled to the Landau-Lifshitz equation for the evolution of the magnetic texture in a square lattice. We show that the addition of an exchange dissipation term, tends to smooth the transition from the skyrmion state to the ferromagnetic state. We demonstrate that this topological change, in the continuum dissipationless limit, can be described as a self-similar finite-time singularity by …
Progress of experimental techniques at nanoscale in the last decade made optical measurements in current-carrying nanojunctions a reality thus indicating emergence of a new field of research coined as optoelectronics. Optical spectroscopy of open nonequilibrium systems is a natural meeting point for (at least) two research areas: nonlinear optical spectroscopy and quantum transport, each with its own theoretical toolbox. We review recent progress in the field comparing theoretical treatments of optical response in nanojunctions as is accepted in nonlinear spectroscopy and quantum transport com…
Using time-, spin- and angle-resolved photoemission, we investigate the ultrafast spin dynamics of hot electrons on the surface of the topological insulator Bi$_2$Te$_3$ following optical excitation by fs-infrared pulses. We observe two surface-resonance states above the Fermi level coexisting with a transient population of Dirac fermions that relax in about $\sim$2 ps. One state is located below $\sim$0.4 eV just above the bulk continuum, the other one at $\sim$0.8 eV inside a projected bulk band gap. At the onset of the excitation, both states exhibit a reversed spin texture with respect to …
When the crystalline symmetries that protect a higher-order topological phase are not preserved at the boundaries of the sample, gapless hinge modes or in-gap corner states cannot be stabilized. Therefore, careful engineering of the sample termination is required. Similarly, magnetic textures, whose quantum fluctuations determine the supported magnonic excitations, tend to relax to new configurations that may also break crystalline symmetries when boundaries are introduced. Here we uncover that antiskyrmion crystals provide an experimentally accessible platform to realize a magnonic topologica…
Entanglement plays a prominent role in the study of condensed matter many-body systems: Entanglement measures not only quantify the possible use of these systems in quantum information protocols, but also shed light on their physics. However, exact analytical results remain scarce, especially for systems out of equilibrium. In this work we examine a paradigmatic one-dimensional fermionic system that consists of a uniform tight-binding chain with an arbitrary scattering region near its center, which is subject to a DC bias voltage at zero temperature. The system is thus held in a current-carryi…
A topologically ordered material is characterized by a rare quantum organization of electrons that evades the conventional spontaneously broken symmetry based classification of condensed matter. Exotic spin transport phenomena such as the dissipationless quantum spin Hall effect have been speculated to originate from a novel topological order whose identification requires a spin sensitive measurement, which does not exist to this date in any system (neither in Hg(Cd)Te quantum wells nor in the topological insulator BiSb). Using Mott polarimetry, we probe the spin degrees of freedom of these qu…
In a current-carrying single-molecular junction (SMJ), a hierarchy of hybrid energy transport processes takes place under a highly nonequilibrium situation, including energy transfer from electrons to molecular vibrations via electron-vibration interaction, energy redistribution within different vibrational modes via anharmonic coupling, and eventual energy transport to surrounding electrodes. A comprehensive understanding of such processes is a prerequisite for their potential applications as single-molecular devices. $Ab$ $initio$ current-induced molecular dynamics (MD) is an ideal approach …
Generating and controlling spin current (SC) are of central interest in spin physics and applications. To date, the spin-orbit interaction (SOI) is an established pathway to generate SC through the spin-charge current conversion. We predict an efficient spin-light conversion via the Rashba and higher-order cubic Dresselhaus SOIs in ferroelectrics. Different from the known Edelstein effect, where SC is created by the nonequilibrium spin density, our predicted spin-polarized current is from direct interactions between light and unique spin textures generated by SOI in ferroelectrics. Using first…
Spin-orbit coupling in inversion-asymmetric magnetic crystals and structures has emerged as a powerful tool to generate complex magnetic textures, interconvert charge and spin under applied current, and control magnetization dynamics. Current-induced spin-orbit torques mediate the transfer of angular momentum from the lattice to the spin system, leading to sustained magnetic oscillations or switching of ferromagnetic as well as antiferromagnetic structures. The manipulation of magnetic order, domain walls and skyrmions by spin-orbit torques provides evidence of the microscopic interactions bet…
Magnetic skyrmionium can be used as a nanometer-scale non-volatile information carrier, which shows no skyrmion Hall effect due to its special structure carrying zero topological charge. Here, we report the static and dynamic properties of an isolated nanoscale skyrmionium in a frustrated magnetic monolayer, where the skyrmionium is stabilized by competing interactions. The frustrated skyrmionium has a size of about $10$ nm, which can be further reduced by tuning perpendicular magnetic anisotropy or magnetic field. It is found that the nanoscale skyrmionium driven by the damping-like spin-orbi…
We analyze a quantum-classical hybrid system of steadily precessing slow classical localized magnetic moments, forming a head-to-head domain wall, embedded into an open quantum system of fast nonequilibrium electrons. The electrons reside within a metallic wire connected to macroscopic reservoirs. The model captures the essence of dynamical noncollinear and noncoplanar magnetic textures in spintronics, while making it possible to obtain the exact time-dependent nonequilibrium density matrix of electronic system and split it into four contributions. The Fermi surface contribution generates diss…
