We propose an orbital magnetothermal effect wherein a temperature gradient generates an orbital magnetization (OM) for Bloch electrons, and we present a unified theory for electrically and thermally induced OM, valid for both metals and insulators. We reveal that there exists an intrinsic response of OM, for which the susceptibilities are completely determined by the band geometric quantities such as interband Berry connections, interband orbital moments, and the quantum metric. The theory can be readily combined with first-principles calculations to study real materials. As an example, we calculate the OM response in CrI$_{3}$ bilayers, where the intrinsic contribution dominates. The temperature scaling of intrinsic and extrinsic responses, the effect of phonon drag, and the phonon angular momentum contribution to OM are discussed.
Application of sufficient lateral current to a heavy metal (HM) can switch the perpendicular magnetization orientation of adjacent ferromagnetic layer (FM) through spin-orbit torques (SOTs). The choice of the HM and its arrangement plays a major role for the SOT induced magnetization switching in magnetic heterostructures. Here, in asymmetric Pt/Co/Pt heterostructures, anti-damping (AD) SOT prevails. Ta addition to this stack (Ta/Pt/Co/Pt) give rise to several compelling effects viz. competing spin currents (due to opposite spin-Hall angles of adjacent Ta and Pt layers), significant AD-SOT, th…
We present a microscopic theory of the magnetic quadrupole moment density $\mathcal{Q}_{ij}$ in periodic crystals with combined time reversal ($\mathcal{T}$) and inversion ($\mathcal{I}$) symmetry. We obtain a gauge-invariant expression with clear physical interpretation and demonstrate the typical behaviour of $\mathcal{Q}_{ij}$ in a minimal two-band model that hosts a tilted Dirac cone. We then show that $\mathcal{Q}_{ij}$ leads to an intrinsic nonlinear anomalous thermoelectric current. As an example, we calculate the nonlinear Nernst and Hall current in the loop-current model for cuprate s…
We develop a theory of Berry phase effect in anomalous transport in ferromagnets driven by statistical forces such as the gradient of temperature or chemical potential. Here a charge Hall current arises from the Berry phase correction to the orbital magnetization rather than from the anomalous velocity which does not exist in the absence of a mechanical force. A finite-temperature formula for the orbital magnetization is derived, which enables us to provide an explicit expression for the off-diagonal thermoelectric conductivity, to establish the Mott relation between the anomalous Nernst and H…
We use the concept of resonant tunneling to calculate the thermopower of molecular nanosystems. It turns out that the sign of the thermovoltage under resonant tunneling conditions depends sensitively on the participating molecular orbital, and one finds a sign change when the transport channel switches from the highest occupied molecular orbital to the lowest unoccupied molecular orbital. Comparing our results to recent experimental data obtained for a BDT molecule contacted with an STM tip, we observe good agreement.
Thermoelectric transport across normal-metal/helical-multiferroic/ferromagnetic heterojunctions is theoretically investigated. We find a anisotropic charge and spin thermopower with a $C_{2v}$ symmetry. The angular dependence on the magnetization orientation of the ferromagnetic layer is substantiated by a phenomenological theory based on the symmetry of the effective spin-orbit interaction induced by the topology of the spiral magnetic order in the multiferroic barrier.
The quantum interference and orbital filling effects on the thermoelectric (TE) properties of quantum dot molecules with high figure of merit are illustrated via the full solution to the Hubbard- Anderson model in the Coulomb blockade regime. It is found that under certain condition in the triangular QD molecule (TQDM), destructive quantum interference (QI) can occur, which leads to vanishing small electrical conductance, while the Seebeck coefficient is modified dramatically. When TQDM is in the charge localization state due to QI, the Seebeck coefficient is seriously suppressed at low temper…
We study thermoelectric effects in Kondo correlated quantum dot coupled to ferromagnetic electrodes by calculating conductance, thermopower and thermal conductance in the Kondo regime. We also study the effect of the asymmetry in the coupling to the leads, which has important consequences for anti-parallel magnetization configuration. We discuss the thermoelectric figure of merit, tunnel magnetoresistance and violation of the Wiedemann-Franz law in this system. The results agree with recently measured thermopower of the quantum dot defined in a two dimensional electron gas.
We present harmonic transverse voltage measurements of current-induced thermoelectric and spin-orbit torque (SOT) effects in ferromagnet/normal metal bilayers, in which thermal gradients produced by Joule heating and SOT coexist and give rise to ac transverse signals with comparable symmetry and magnitude. Based on the symmetry and field-dependence of the transverse resistance, we develop a consistent method to separate thermoelectric and SOT measurements. By addressing first ferromagnet/light metal bilayers with negligible spin-orbit coupling, we show that in-plane current injection induces a…
We investigate the transport through a nanoscale device consisting of a degenerate double-orbital Anderson dot coupled to two uncorrelated leads. We determine the thermoelectric transport properties close to the one-electron regime and compare them to a corresponding single-orbital dot. The linear and nonlinear regimes are addressed, the latter via a non-equilibrium generalization of the non-crossing approximation based on the Keldysh formalism. Power output and efficiency in the Kondo regime are shown to be strongly enhanced through the presence of a second orbital. We predict an experimental…
A semiclassical theory for the orbital magnetization due to adiabatic evolutions of Bloch electronic states is proposed. It renders a unified theory for the periodic-evolution pumped orbital magnetization and the orbital magnetoelectric response in insulators by revealing that these two phenomena are the only instances where the induced magnetization is gauge invariant. This theory also accounts for the electric-field induced intrinsic orbital magnetization in two-dimensional metals and Chern insulators. We illustrate the orbital magnetization pumped by microscopic local rotations of atoms, wh…
We study transport phenomena cross-correlated among the heat and electric currents of magnons and Dirac electrons on the surface of ferromagnetic topological insulators. For a perpendicular magnetization, we calculate magnon- (electron-) drag anomalous Nernst/Seebeck (anomalous Ettingshausen/Peltier) effects and magnon-/electron-drag thermal Hall effects. The magnon-drag thermoelectric effects are interpreted to be caused by magnon-induced electromotive force. When the magnetization has in-plane components, there arise thermal/thermoelectric analogs of anisotropic magnetoresistance (AMR). In t…
In this paper, we present the theoretical predication of a thermospin Hall effect, in which a transverse spin current can be generated in semiconductors in the presence of spin-orbit coupling by a frequency-dependent longitudinal temperature gradient. Because of the thermoelectric effect, there is no net charge current but there is a heat flow from the hot side to the cold side. We perform the theoretical calculation of dynamical thermospin Hall conductivity in a two-dimensional Rashba spintronic system. It has been shown that the direct interband optical transition dominates the ordering and …
We study the anomalous Hall effect and orbital magnetization in chiral antiferromagnets, constructing a simple tight-binding model on a stacked Kagome lattice structure with spin-orbit coupling and the exchange interaction between the localized spins and itinerant electrons. It is shown that the ground state is an orbital ferromagnet with the easy-plane anisotropy. The relation between the orbital magnetization and the configuration of the Weyl points are discussed.
We calculate orbital spin-dependent magnetization in a two-dimensional electron gas with spin-orbit interaction of Rashba type. Such an orbital magnetization is admitted by the time-reversal symmetry of the system, and gives rise to spin currents when the system is not in thermal equilibrium. The theoretical approach is based on the linear response theory and the Matsubara Green's function formalism. To account for the spin-resolved orbital magnetization a spin-dependent vector potential has been introduced. The spin currents which appear in thermal nonequilibrium due to the spin-resolved orbi…
We investigate the induced orbital magnetization density in a Rashba electron gas with magnetic impurities. Relying on classical electrodynamics, we obtain this quantity through the bound currents composed of a paramagnetic and a diamagnetic-like contribution which emerge from the spin-orbit interaction. Similar to Friedel charge ripples, the bound currents and the orbital magnetization density oscillate as function of distance away from the impurity with characteristic wavelengths defined by the Fermi energy and the strength of the Rashba spin-orbit interaction. The net induced orbital magnet…
We consider periodic adiabatic processes of gapped many-body spinless electrons. We find an additional contribution to the orbital magnetization due to the adiabatic time evolution, dubbed \textit{geometric} orbital magnetization, which can be expressed as derivative of the many-body Berry phase with respect to an external magnetic field. For two-dimensional band insulators, we show that the geometric orbital magnetization generally consists of two pieces, the topological piece that is expressed as third Chern-Simons form in $(t,k_x,k_y)$ space, and the non-topological piece that depends on Bl…
Organic thermoelectric (TE) materials create a brand new perspective to search for high-efficiency TE materials, due to their small thermal conductivity. The overlap of pz orbitals, commonly existing in organic π-stacking semiconductors, can potentially result in high electronic mobility comparable to inorganic electronics. Here we propose a strategy to utilize the overlap of pz orbitals to increase the TE efficiency of layered polymeric carbon nitride (PCN). Through first-principles calculations and classical molecular dynamics simulations, we find that A-A stacked PCN has unexpectedly high c…
Recently, signatures of quantum anomalous Hall states with spontaneous ferromagnetism were observed in twisted bilayer graphenes (TBGs) near 3/4 filling [1, 2]. Importantly, it was demon-strated that an extremely small current can switch the direction of the magnetization. This offers the prospect of realizing low energy dissipation magnetic memories. However, the mechanism of the current-driven magnetization switching is poorly understood as the charge currents in graphene layers are generally believed to be non-magnetic. In this work, we demonstrate that, in TBGs, the twist-induced reduction…
We theoretically show that in a crystal with a helical lattice structure, orbital and spin magnetizations along a helical axis are induced by an electric current along the helical axis. We propose a simple tight-binding model for calculations, and the results can be generalized to any helical crystals. The induced magnetizations are opposite for right-handed and left-handed helices. The current-induced spin magnetization along the helical axis comes from a radial spin texture on the Fermi surface. This is in sharp contrast to Rashba systems where the induced spin magnetization is perpendicular…
We present a magnetization measurement probing the transition from a quantum Hall to insulating (QH-I) state for a two-dimensional electron gas in a disordered GaAs/AlGaAs heterostructure. Using a highly sensitive DC torque magnetometer, we discover an abrupt change in the orbital magnetization precisely at the critical point for the QH-I transition. Since this transition is predicted to be a second order quantum phase transition, a thermodynamic signature in magnetization is totally unexpected. The observed feature is reminiscent of the well-known de Haas-van Alphen oscillations arising from …
Both spin and orbital degrees of freedom contribute to the magnetic moment of isolated atoms. However, when inserted in crystals, atomic orbital moments are quenched because of the lack of rotational symmetry that protects them when isolated. Thus, the dominant contribution to the magnetization of magnetic materials comes from electronic spin. Here we show that nanoislands of quantum spin Hall insulators can host robust orbital edge magnetism whenever their highest occupied Kramers doublet is singly occupied, upgrading the spin edge current into a charge current. The resulting orbital magnetiz…
The intrinsic orbital magnetization of a TMD monolayer is usually calculated for a plane unbounded system without mentioning the geometrical shape of samples and boundary conditions (BCs) for electron wave functions. The method of calculations includes allowing for the Berry curvature contribution also in the case when the system is described by the two-band minimal model [9]. In the present paper, we show that the geometrical and topological properties of the specimen, as well as the BCs, play an important role in the problem of magnetization even for a macroscopic specimen.
The orbital magnetic moment of a finite piece of matter is expressed in terms of the one-body density matrix as a simple trace. We address a macroscopic system, insulating in the bulk, and we show that its orbital moment is the sum of a bulk term and a surface term, both extensive. The latter only occurs when the transverse conductivity is nonzero and owes to conducting surface states. Simulations on a model Hamiltonian validate our theory.
The modern expressions for polarization $¶$ and orbital magnetization $\M$ are $\k$-space integrals. But a genuine bulk property should also be expressible in $\r$-space, as unambiguous function of the ground-state density matrix, "nearsighted" in insulators, independently of the boundary conditions---either periodic or open. While $¶$---owing to its "quantum" indeterminacy---is {\it not} a bulk property in this sense, $\M$ is. We provide its $\r$-space expression for any insulator, even with nonzero Chern invariant. Simulations on a model Hamiltonian validate our theory.
Based on standard perturbation theory, we present a full quantum derivation of the formula for the orbital magnetization in periodic systems. The derivation is generally valid for insulators with or without a Chern number, for metals at zero or finite temperatures, and at weak as well as strong magnetic fields. The formula is shown to be valid in the presence of electron-electron interaction, provided the one-electron energies and wave functions are calculated self-consistently within the framework of the exact current and spin density functional theory.
Staggered orbital magnetization from itinerant electrons: orbital antiferro- and ferrimagnetic phases
Instituto de Física, Universidade Federal Fluminense（弗鲁米嫩塞联邦大学物理研究所）；International Iberian Nanotechnology Laboratory (INL)（伊比利亚纳米技术国际实验室）；Centro Brasileiro de Pesquisas Físicas (CBPF)（巴西物理研究中心）；Physics Center of Minho and Porto Universities (CF-UM-UP)（米尼奥与波尔图大学物理中心）
Theory of In-Plane Orbital Magnetization with Layer Hybridization
The Hong Kong University of Science and Technology（香港科技大学）；RIKEN Center for Emergent Matter Science (CEMS)（理化学研究所新兴物质科学中心）；Beijing Institute of Technology（北京理工大学）
We model and evaluate the Peltier and Seebeck effects in magnetic multilayer nanostructures by a finite-element theory of thermoelectric properties. We present analytical expressions for the thermopower and the current-induced temperature changes due to Peltier cooling/heating. The thermopower of a magnetic element is in general spin-polarized, leading to spin-heat coupling effects. Thermoelectric effects in spin valves depend on the relative alignment of the magnetization directions and are sensitive to spin-flip scattering as well as inelastic collisions in the normal metal spacer.
We investigate how tilting affects the off-diagonal, dissipationless response of a pair of chirally imbalanced Weyl cones to various external perturbations. The pair of chirally imbalanced Weyl cones can be described as a chiral electron fluid, that can flow with a velocity field that contains vorticity. Upon applying an external magnetic field, we obtain the so-called magnetovortical linear-response matrix that relates electric and heat currents to the magnetic field (chiral magnetic effect) and the vorticity (chiral vortical effect). We show how this reponse matrix becomes anisotropic upon t…
Real-Space Spectral Approach to Orbital Magnetization
International Iberian Nanotechnology Laboratory (INL)（伊比利亚纳米技术国际实验室）；Centro de Física das Universidades do Minho e Porto（米尼奥和波尔图大学物理中心）；Universidade do Porto（波尔图大学）；University of York（约克大学）；Centro Brasileiro de Pesquisas Físicas (CBPF)（巴西物理研究中心）；Universidade Federal Fluminense（弗鲁米嫩塞联邦大学）；Physics Center of Minho and Porto Universities (CF-UM-UP)（米尼奥和波尔图大学物理中心）
We develop a conformal-field theory approach for investigation of the quantum charge-, heat- and thermoelectric- transport through a quantum impurity fine tuned to a non-Fermi liquid regime. The non-Fermi-liquid operational mode is associated with the overscreened spin Kondo effect and controlled by the number of orbital channels. The universal low-temperature scaling and critical exponents for Seebeck and Peltier coefficients are investigated for the multichannel geometry. We derive and analyze the universal dependence of the thermoelectric coefficients on the number of orbital channels. We d…
Metal-string complexes in the quasi-1D framework may play an important role in molecular electronics by serving not only as nanoscale interconnects but also as active functional elements for nanoelectronic devices. However, because of the potential volumetric heat generation across such nanojunctions, the circuit stability becomes often a major concern, which necessitates to study the heat transport properties at the molecular-scale. Here we report the thermoelectric behavior of various tr-nuclear metal-string complexes, $[M-M-M](dpa)_4(NCS)_2$ for $M \in \{Cr,Ru\}$, bridging Au(111) nanowires…
We calculate the orbital magnetization of single and double quantum dots coupled both by Coulomb interaction and by electron tunneling. The electronic states of the quantum dots are calculated in a tight-binding model and the magnetization is discussed in relation to the energy spectrum and to the edge and bulk states. We identify effects of chirality of the electronic orbits and of the anti-crossing of the energy levels when the magnetic field is varied. We also consider the effects of detuning the energy spectra of the quantum dots by an external gate potential. We compare our results with t…
A valley-contrasting Berry curvature in bilayer transition metal dichalcogenides with spin-orbit coupling can generate valley magnetization when the inversion symmetry is broken, for example, by an electric field, regardless of time-reversal symmetry. A nontrivial Berry curvature can also lead to anomalous transport responses, such as the anomalous Hall effect and the anomalous Nernst effect. Applied to a bilayer WSe$_2$, an electric field can tune the Berry curvature and orbital magnetic moment, which has important consequences for the orbital magnetization and the anomalous Nernst responses.…
The orbital magnetization of the electron gas on a two-dimensional kagome lattice under a perpendicular magnetic field is theoretically investigated. The interplay between the lattice geometry and magnetic field induce nontrivial $k$-space Chern invariant in the magnetic Brillouin zone, which turns to result in profound effects on the magnetization properties. We show that the Berry-phase term in the magnetization gives a paramagnetic contribution, while the conventional term brought about by the magnetic response of the magnetic Bloch bands produces a diamagnetic contribution. As a result, th…
We theoretically demonstrate that 100\% valley-polarized transport in monolayers of MoS$_{2}$ and other group-VI dichalcogenides can be obtained using off-resonant circularly polarized light. By tuning the intensity of the off-resonant light the intrinsic band gap in one valley is reduced, while it is enhanced in the other valley, enabling single valley quantum transport. As a consequence, we predict (i) enhancement of the longitudinal electrical conductivity, accompanied by an increase in the spin-polarization of the flowing electrons, (ii) enhancement of the intrinsic spin Hall effect, toget…
We consider a quantum Hall system with an antidot acting as an energy dependent scatterer. In the purely charge case, we find deviations from the Wiedemann-Franz law that take place in the nonlinear regime of transport. We also discuss Peltier effects beyond linear response and describe both effects using magnetic-field asymmetric transport coefficients. For the spin case such as that arising along the helical edge states of a two-dimensional topological insulator, we investigate the generation of spin currents as a result of applied voltage and temperature differences in samples attached to f…
Ensembles of gold nanoparticles present a magnetic behavior which is at odds with the weakly diamagnetic response of bulk gold. In particular, an unusual ferromagnetic order has been unveiled by several experiments. Here we investigate if the combined effect of orbital magnetism of conduction electrons and interparticle dipolar interaction can lead to magnetic ordering. Using different model systems of interacting mesoscopic magnetic dipoles, together with a microscopic description of the electron dynamics within the nanoparticles, we find that a spontaneous magnetic moment may arise in dimers…
Theory of local orbital magnetization: local Berry curvature
CPHT, CNRS, École polytechnique, Institut Polytechnique de Paris（法国国家科学研究中心，巴黎综合理工学院，巴黎理工学院）；Laboratoire de Physique des Solides, Université Paris-Saclay, CNRS（巴黎-萨克雷大学，法国国家科学研究中心）
Thermoelectric properties of finite graphene nanoribbons (GNRs) coupled to metallic electrodes are theoretically studied in the framework of tight-binding model and Green's function approach. When the zigzag sides are coupled to the electrodes, the electron transport through the localized edge states can occur only if the channel length between electrodes is smaller than the decay length of these localized zigzag edge states. When the armchair edges are coupled to the electrodes, there is an interesting thermoelectric behavior associated with the mid-gap states when the GNR is in the semicondu…
Noble metals break preferably exposing (111)-oriented surfaces, that host Shockley type surface states (SSs). Nevertheless, the relevance of SSs on the electrical properties of gold-based molecular junctions has not been explored in detail yet. Here, we present ab initio simulations that show how the gold (111) SS, that lies approximately 0.5 eV below the Fermi energy, is key to determining correctly the electrical and thermoelectric response of the above junctions. We show how the ability to shift in a controlled way the energy position of gold SS enables us to tune the electrical and thermoe…
In order to understand the orbital and spin magnetization of a confined electronic system we analyze these ground state properties in the transition from a quantum dot to a quantum ring of finite thickness. The Coulomb interaction between the electrons is treated in the Hartree and Hartree-Fock approximations and special care is taken to include also the contributions of the nonlocal current to the summation of the magnetic moments of the occupied states. We identify changes in the many-body structure of the ground state and in the magnetization curves versus the magnetic field and other param…
We theoretically study current-induced orbital magnetization in a chiral crystal. This phenomenon is an orbital version of the Edelstein effect. We propose an analogy between the current-induced orbital magnetization and an Ampère field in a solenoid in classical electrodynamics. In order to quantify this effect, we define a dimensionless parameter from the response coefficient relating a current density with an orbital magnetization. This dimensionless parameter can be regarded as a number of turns within a unit cell when the crystal is regarded as a solenoid, and it represents how "chiral" t…
Although it was demonstrated that discrete molecular levels determine the sign and magnitude of the thermoelectric effect in single-molecule junctions, full electrostatic control of these levels has not been achieved to date. Here, we show that graphene nanogaps combined with gold microheaters serve as a testbed for studying single-molecule thermoelectricity. Reduced screening of the gate electric field compared to conventional metal electrodes allows control of the position of the dominant transport orbital by hundreds of meV. We find that the power factor of graphene-fullerene junctions can …
A general expression for the orbital magnetization of a Floquet system is derived. The expression holds for a clean system, and is valid for any driving protocol, and arbitrary occupation of the bands. The orbital magnetization is shown to be large not only for Chern insulators, but also for anomalous phases where the Chern number does not fully account for the topology. In addition, the orbital magnetization is shown to take significant values both for a thermal equilibrium occupation of the Floquet bands, and for occupations determined by a quantum quench from an initial state with zero orbi…
We consider a Josephson junction hosting a Kramers pair of helical edge states of a quantum spin Hall bar in contact with a normal-metal probe. In this hybrid system, the orbital phase induced by a small magnetic field threading the junction known as Doppler shift (DS), combines with the conventional Josephson phase difference and originates an effect akin to a Zeeman field in the spectrum. As a consequence, when a temperature bias is applied to the superconducting terminals, a thermoelectric current is established in the normal probe. We argue that this purely non-local thermoelectric effect …
We have studied the effect of spin-orbital coupling (SOC) on electronic transport properties of the thermoelectric material $β$-K$_{2}$Bi$_{8}$Se$_{13}$ via magnetoresistance (MR) measurements. We found that the strong SOC in this material results in weak antilocalization (WAL) effect, which can be well described by the three-dimensional weak localization model. The phase coherence length extracted from theoretical fitting exhibits a power-law temperature dependence with an exponent around 2.1, indicating that the electron phase dephasing is governed by electron - transverse phonon interaction…
The observed magnetization switching by circularly polarized ultrafast laser pulses has been attributed to the inverse Faraday effect in which the induced non-equilibrium orbital momentum serves as an effective magnetic filed via spin-orbit coupling for magnetization rotation and switching. We critically examine this scenario by explicitly calculating the magnitude of the induced orbital momentum for generic itinerant band. We show that the calculated induced angular momentum is not large enough for reversing the magnetization in one laser pulse with the order of 100 femtosecond duration. Inst…
Recently, Berry phase in the semiclassical dynamical of Bloch electrons has been found to make a correction to the phase-space density of states and a general multi-band formula for finite-temperature orbital magnetization has been given [Phys. Rev. Lett. \textbf{97}, 026603 (2006)], where the orbital magnetization $\mathcal{M}$ consists of two parts, i.e., the conventional part $M_{c}$ and the Berry-phase correction part $M_Ω$. Using this general formula, we theoretically investigate the orbital magnetization and its effects on thermoelectric transport and magnetic susceptibility properties o…
