A first-principles approach is presented for the thermoelectricity in molecular junctions formed by a single molecule contact. The study investigates the Seebeck coefficient considering the source-drain electrodes with distinct temperatures and chemical potentials in a three-terminal geometry junction. We compare the Seebeck coefficient in the amino-substituted and unsubstituted butanethiol junction and observe interesting thermoelectric properties in the amino-substituted junction. Due to the novel states around the Fermi levels introduced by the amino-substitution, the Seebeck coefficient could be easily modulated by using gate voltages and biases. When the temperature in one of the electrodes is fixed, the Seebeck coefficient varies significantly with the temperature in the other electrode, and such dependence could be modulated by varying the gate voltages. As the biases increase, richer features in the Seebeck coefficient are observed, which are closely related to the transmission functions in the vicinity of the left and right Fermi levels.
We investigate thermoelectric transport through interfaces with inelastic scatterings by developing a quantum theory, which has been extensively validated by existing theories. We find that under temperature bias, while a two-terminal conductor-insulator interface behaves only as a thermal resistor, a three-terminal conductor-insulator-conductor interface can function as an electricity generator caused by phonon-mediated electron scatterings with heat-charge current separation. Unlike conventional thermoelectrics which is a property of a bulk caused by the Seebeck effect, this thermoelectric b…
We theoretically consider the spin Seebeck effect, the charge Seebeck coefficient, and the thermoelectric figure of merit in superconducting hybrid structures including either magnetic textures or intrinsic spin-orbit coupling. We demonstrate that large magnitudes for all these quantities are obtainable in Josephson-based systems with either zero or a small externally applied magnetic field. This provides an alternative to the thermoelectric effects generated in high-field ($\sim 1$ T) superconducting hybrid systems, which were recently experimentally demonstrated. The systems studied contain …
Thermoelectric phenomena in photoexcited graphene have been the topic of several theoretical and experimental studies because of their potential usefulness in optoelectronic applications. However, available theoretical descriptions of the thermoelectric effect in terms of the Seebeck coefficient do not take into account the role of the photoexcited electron density. In this work, we adopt the concept of effective Seebeck coefficient [G.D. Mahan, J. Appl. Phys. 87, 7326 (2000)] and extend it to the case of a photoexcited two-dimensional (2D) electron gas. We calculate the effective Seebeck coef…
The spin Seebeck effect (SSE) refers to the generation of a spin current as a result of a temperature gradient in magnetic materials including insulators. The SSE is applicable to thermoelectric generation because the thermally generated spin current can be converted into a charge current via spin-orbit interaction in conductive materials adjacent to the magnets. The insulator-based SSE device exhibits unconventional characteristics potentially useful for thermoelectric applications, such as simple structure, device-design flexibility, and convenient scaling capability. In this article, we rev…
We theoretically study the nonequilibrium thermoelectric transport properties of a strongly-correlated molecule (or quantum dot) embedded in a tunnel junction. Assuming that the coupling of the molecule to the contacts is asymmetric, we determine the nonlinear current driven by the voltage and temperature gradients by using the perturbation theory. However, the subsystem consisting of the molecule strongly coupled to one of the contacts is solved by using the numerical renormalization group method, which allows for accurate description of Kondo correlations. We study the temperature gradient a…
Nanoscale structuring holds promise to improve thermoelectric properties of materials for energy conversion and photodetection. We report a study of the spatial distribution of the photothermoelectric voltage in thin-film nanowire devices fabricated from single metal. A focused laser beam is used to locally heat the metal nanostructure via a combination of direct absorption and excitation of a plasmon resonance in Au devices. As seen previously, in nanowires shorter than the spot size of the laser, we observe a thermoelectric voltage distribution that is consistent with the local Seebeck coeff…
We theoretically investigate the spin--wave spin current induced by the spin Seebeck effect in magnonic spin tunneling junctions (MSTJs) for arbitrary magnetization directions. We show that the MSTJ functions as a \textit{tunable} spin Seebeck diode in which the tunneling spin current can be turned on and off with high efficiency by controlling the magnetization direction.
A model of charge hopping transport that accounts for anisotropy of localized states and Coulomb interaction between charges is proposed. For the anisotropic localized states the degree of orientation relates exponentially to the ratio of conductivities in parallel and perpendicular directions, while the ratio of Seebeck coefficients stays nearly unaffected. However, the ratio of Seebeck coefficients increases if Coulomb interaction is screened stronger in a direction parallel to the predominant orientation of the localized states. This implies two different physical mechanisms responsible for…
Local variations in the Seebeck coefficient in low-dimensional materials-based nanostructures and devices play a major role in their thermoelectric performance. Unfortunately, currently most thermoelectric measurements probe the aggregate characteristics of the device as a whole, failing to observe the effects of the local variations and internal structure. Such variations can be caused by local defects, geometry, electrical contacts or interfaces and often substantially influence thermoelectric properties, most profoundly in two-dimensional (2D) materials. Here, we use Scanning Thermal Gate M…
We have fabricated bilayer-graphene double layers separated by a thin ($\sim$20 nm) boron nitride layer and performed Coulomb drag and counterflow thermoelectric transport measurements. The measured Coulomb drag resistivity is nearly three orders smaller in magnitude than the intralayer resistivities. The counterflow Seebeck coefficient is found to be well approximated by the difference between Seebeck coefficients of individual layers and exhibit a peak in the regime where two layers have opposite sign of charge carriers. The measured maximum counterflow power factor is $\sim$ 700 $μ$W/K$^2$c…
Fano and hybrid resonances of bilayer graphene could be attractive for thermoelectric devices. The special profile presented by such resonances could significantly enhance the Seebeck coefficient and the power factor. In this work, we study the thermoelectric properties of bilayer graphene single and double barrier structures. The charge carriers are described as massive chiral particles through an effective Dirac-like Hamiltonian. The Hybrid matrix method, the Landauer-Büttiker formalism and the Cutler-Mott formula are implemented to obtain the transmission, transport and thermoelectric prope…
We develop a theoretical framework to study the influences of coupling asymmetry on the thermoelectrics of a strongly coupled SU($N$) Kondo impurity based on a local Fermi liquid theory. Applying non-equilibrium Keldysh formalism, we investigate charge current driven by the voltage bias and temperature gradient in the strong coupling regime of an asymmetrically coupled SU($N$) quantum impurity. The thermoelectric characterizations are made via non-linear Seebeck effects. We demonstrate that the beyond particle-hole (PH) symmetric SU($N$) Kondo variants are highly desirable with respect to the …
The Seebeck effect describes the generation of an electric potential in a conducting solid exposed to a temperature gradient. Besides fundamental relevance in solid state physics, it serves as a key quantity to determine the performance of functional thermoelectric materials. In most cases, it is dominated by an energy-dependent electronic density of states at the Fermi level, in line with the prevalent efforts toward superior thermoelectrics through the engineering of electronic structure. Here, we demonstrate an alternative source for the Seebeck effect based on charge-carrier relaxation: A …
The spin-Seebeck effect mediated thermoelectric energy conversion can provide efficient alternative to traditional thermoelectrics for waste heat recovery. To achieve this goal, efficient spin to charge conversion using earth-abundant materials is essential. Proximity induced Rashba effect arises from the charge potential mediated by structural inversion asymmetry, which has been reported in Si thin films and can be manipulated by controlling the thickness of Rashba layer. We demonstrate a giant Rashba spin-Seebeck effect in NiFe/p-Si (polycrystalline) bilayer thin films. The bilayer thin film…
We study features of the thermoelectric transport through a Kitaev chain hosting Majorana bound states (MBS) at its ends. We describe the behavior of the Seebeck coefficient and the ZT figure of merit for two different configurations between MBS and normal current leads. We find an important violation of the Wiedemann-Franz law in one of these geometries, leading to sizeable values of the thermoelectric efficiency over a narrow window in chemical potential away from neutrality. These findings could lead to interesting thermoelectric-based MBSs detection devices, via measurements of the Seebeck…
We theoretically investigate the thermoelectric and spin thermoelectric properties of a T-shaped double quantum dot strongly coupled to two ferromagnetic leads, focusing on transport regime where the system exhibits the two-stage Kondo effect. We study the dependence of the (spin) Seebeck coefficient, the corresponding power factor and the figure of merit on temperature, leads' spin polarization and dot level position. We show that the thermal conductance fulfills a modified Wiedemann-Franz law. We also demonstrate that the spin thermopower is enhanced at temperatures corresponding to the seco…
Spin Seebeck effect in magnetic junctions with a compensated ferrimagnet
Institute for Solid State Physics, The University of Tokyo（东京大学固体物理研究所）；Advanced Science Research Center, Japan Atomic Energy Agency（日本原子能研究开发机构先进科学研究部）；Kavli Institute for Theoretical Sciences, University of Chinese Academy of Sciences（中国科学院大学喀文利理论科学研究院）；CAS Center for Excellence in Topological Quantum Computation, University of Chinese Academy of Sciences（中国科学院大学中国科学院拓扑量子计算卓越创新中心）；RIKEN Center for Emergent Matter Science (CEMS)（理化学研究所新兴物质科学中心）
Transverse magneto-thermoelectric effects are studied in permalloy thin films grown on MgO substrates. We find that small parasitic magnetic fields below 1 Oe can produce artifacts of the order of 1 % of the amplitude of the anisotropic magneto-thermopower which is also detected in the experiments. The measured artifacts reveal a new source of uncertainties for the detection of the transverse spin Seebeck effect. Taking these results into account we conclude that the contribution of the transverse spin Seebeck effect to the detected voltages is below the noise level of 20 nV.
In this article, we show fundamentals and recent advances on the transverse thermoelectric generation, in which a thermopower is generated in the direction perpendicular to an applied temperature gradient. Transverse thermoelectric generation is one of the central topics in condensed matter physics, and can be a breakthrough approach to solve long-standing technological problems with contact resistances in thermoelectric generators. We review here the six currently known driving mechanisms: the ordinary Nernst effect, the anomalous Nernst effect, goniopolar materials, the spin Seebeck effect, …
In this work, we study the conductance and the thermoelectric properties of a quantum dot embedded between two metallic leads with a side-coupled triple quantum dot molecule under a magnetic field. We focus on the spin polarization and thermoelectric quantities. Our results show the possibility of design an efficient spin filter device besides a noticeable enhancement of the Seebeck coefficient driven by the asymmetry in the quantum dots energy levels and a tunable pure spin Seebeck effect is obtained. This behavior also holds in the interacting case, where a pure spin Seebeck effect can be ob…
In the present work we theoretically study characteristics of nonlinear Seebeck effect in a single-molecule junction with chain-like bridge of an arbitrary length. We have employed tight-binding models to compute electron transmission trough the system. We concentrate on analysis of dependences of thermovoltage $V_{th} $ and differential thermopower $ S $ on the bridge length. It is shown that $ V_{th} $ becomes stronger and $ S $ grows as the bridge lengthens. We discuss the effects of the bridge coupling to the electrodes and of specific characteristics of terminal sites on the bridge on the…
The thermoelectric effects in semiconducting single-walled carbon nanotubes (SWCNTs) are investigated based on the linear response theory combined with the thermal Green's function method. It is shown that the electronic states near the lowest conduction band minimum and the highest valence band maximum can be effectively described in terms of one-dimensional (1D) Dirac electrons to which a theoretical scheme is developed to describe the thermoelectric responses making it possible to study the effects of inter-band impurity scattering and in-gap states. Using the proposed scheme, the bipolar t…
The tunnel magneto-Seebeck effect is the dependence of the thermopower of magnetic tunnel junctions on the magnetic configuration. It is conventionally interpreted in terms of a thermoelectric generalization of the tunnel magnetoresistance. Here, we investigate the heat-driven electron transport in these junctions associated with electron-magnon scattering, using stochastic Landau-Lifshitz phenomenology and quantum kinetic theory. Our findings challenge the widely accepted single-electron picture of the tunneling thermopower in magnetic junctions.
Spin caloritronics is the science and technology to control spin, charge, and heat currents in magnetic nanostructures. The spin degree of freedom provides new strategies for thermolelectric power generation that have not yet been fully explored. After an elementary introduction into conventional thermoelectrics and spintronics, we give a brief review of the physics of spin caloritronics. We discuss spin-dependent thermoelectrics based on the the two-current model in metallic magnets as well as the spin Seebeck and Peltier effects that are based on spin wave excitations in ferromagnets. We der…
This is a numerical study of thermoelectric properties of ballistic bilayer graphene in the presence of trigonal warping term in the effective Hamiltonian. We find, in the mesoscopic samples of the length $L>10\,μ$m at sub-Kelvin temperatures, that both the Seebeck coefficient and the Lorentz number show anomalies (the additional maximum and minimum, respectively) when the electrochemical potential is close to the Lifshitz energy, which can be attributed to the presence of the van Hove singularity in a bulk density of states. At higher temperatures the anomalies vanish, but measurable quantiti…
The electronic thermoelectric coefficients are analyzed in the vicinity of one and two Anderson localization thresholds in three dimensions. For a single mobility edge, we correct and extend previous studies, and find universal approximants which allow to deduce the critical exponent for the zero-temperature conductivity from thermoelectric measurements. In particular, we find that at non-zero low temperatures the Seebeck coefficient and the thermoelectric efficiency can be very large on the "insulating" side, for chemical potentials below the (zero-temperature) localization threshold. Correct…
When two planar atomic membranes are placed within the van der Waals distance, the charge and heat transport across the interface are coupled by the rules of momentum conservation and structural commensurability, leading to outstanding thermoelectric properties. Here we show that an effective "interlayer phonon drag" determines the Seebeck coefficient (S) across the van der Waals gap formed in twisted bilayer graphene (tBLG). The cross-plane thermovoltage, which is non-monotonic in both temperature and density, is generated through scattering of electrons by the out-of-plane layer breathing (Z…
Thermoelectric effect generating electricity from thermal gradient and vice versa appears in numerous generic applications. Recently, an original prospect of thermoelectricity arising from the nonlocal Cooper pair splitting (CPS) and the elastic co-tunneling (EC) in hybrid normal metal-superconductor-normal metal (NSN) structures was foreseen. Here we demonstrate experimentally the existence of non-local Seebeck effect in a graphene-based CPS device comprising two quantum dots connected to an aluminum superconductor and theoretically validate the observations. This non-local Seebeck effect off…
In this work, we investigate thermoelectric properties of junctions consisting of two partially overlapped graphene sheets coupled to each other in the cross-plane direction. It is shown that because of the weak van-der Waals interactions between graphene layers, the phonon conductance in these junctions is strongly reduced, compared to that of single graphene layer structures, while their electrical performance is weakly affected. By exploiting this effect, we demonstrate that the thermoelectric figure of merit can reach values higher than 1 at room temperature in junctions made of gapped gra…
We investigate hot carrier propagation across graphene using an electrical nonlocal injection/detection method. The device consists of a monolayer graphene flake contacted by multiple metal leads. Using two remote leads for electrical heating, we generate a carrier temperature gradient that results in a measurable thermoelectric voltage VNL across the remaining (detector) leads. Due to the nonlocal character of the measurement, VNL is exclusively due to the Seebeck effect. Remarkably, a departure from the ordinary relationship between Joule power P and VNL, VNL ~ P, becomes readily apparent at…
The influence of nanostructuring and quantum confinement on the thermoelectric properties of materials has been extensively studied. While this has made possible multiple breakthroughs in the achievable figure of merit, classical confinement, and its effect on the local Seebeck coefficient has mostly been neglected, as has the Peltier effect in general due to the complexity of measuring small temperature gradients locally. Here we report that reducing the width of a graphene channel to 100 nm changes the Seebeck coefficient by orders of magnitude. Using a scanning thermal microscope allows us …
The increase of a thermoelectric material's figure of merit (ZT value) is limited by the interplay of the transport coefficients. Here we report the greatly enhanced thermoelectric performance of a ZrS2 monolayer by the biaxial tensile strain, due to the simultaneous increase of the Seebeck coefficient and decrease of the thermal conductivity. Based on the first-principles calculations combined with the Boltzmann transport theory, we predict the band gap of the ZrS2 monolayer can be effectively engineered by the strain and the Seebeck coefficient is significantly increased. The thermal conduct…
The thermoelectric properties of polythiophene (PT) coupled to the Au (111) electrodes are studied based on density functional theory combined with nonequilibrium Green function formalism. Specially, the effect of Li and Cl adsorbents on the thermoelectric efficiency of the PT junction is investigated in different concentrations of the dopants for two lengths of the PT. Results show that the presence of dopants can bring the structural changes in the oligomer and modify the arrangement of the molecular levels leading to the dramatic changes in the transmission spectra of the junction. Therefor…
It was recently suggested that molecular junctions would be excellent elements for efficient and high-power thermoelectric energy conversion devices. However, experimental measurements of thermoelectric conversion in molecular junctions have indicated rather poor efficiency, raising the question of whether it is indeed possible to design a setup for molecular junctions that will exhibit enhanced thermoelectric performance. Here we suggest that hybrid single-molecule nanoparticle junctions can serve as efficient thermoelectric converters. The introduction of a semiconducting nanoparticle introd…
