Control and manipulation of electric current and, especially, its degree of spin polarization (spin filtering) across single molecules are currently of great interest in the field of molecular spintronics. We explore one possible strategy based on the modification of nanojunction symmetry which can be realized, for example, by a mechanical strain. Such modification can activate new molecular orbitals which were inactive before due to their orbital mismatch with the electrode's conduction states. This can result in several important consequences such as (i) quantum interference effects appearing as Fano-like features in electron transmission and (ii) the change in molecular level hybridization with the electrode's states. We argue that the symmetry change can affect very differently two majority- and minority-spin conductances and thus alter significantly the resulting spin-filtering ratio as the junction symmetry is modified. We illustrate the idea for two basic molecular junctions: Ni/benzene/Ni (perpendicular vs tilted orientations) and Ni/Si chain/Ni (zigzag vs linear chains). In both cases, one highest occupied molecular orbital (HOMO) and one lowest unoccupied molecular orbital (LUMO) (out of HOMO and LUMO doublets) are important. In particular, their destructive interference with other orbitals leads to dramatic suppression of majority-spin conductance in low-symmetry configurations. For a minority-spin channel, on the contrary, the conductance is strongly enhanced when the symmetry is lowered due to an increase in hybridization strength. We believe that our results may offer a potential route for creating molecular devices with a large on-off ratio of spin polarization via quantum interference effects.
Hybridization of topologically distinct quartet modes in three-terminal graphene Josephson junctions
The Pennsylvania State University（宾夕法尼亚州立大学）；National Institute for Materials Science（国立材料研究所）；Université Grenoble-Alpes（格勒诺布尔阿尔卑斯大学）；CNRS（法国国家科学研究中心）；Grenoble INP（格勒诺布尔理工学院）；Institut NEEL（NEEL研究所）
We theoretically investigate magnetoresistance (MR) effects in connection with spin filtering in quantum-coherent transport through tunnel junctions based on non-magnetic/semimagnetic heterostructures. We find that spin filtering in conjunction with the suppression/enhancement of the spin-dependent Fermi seas in semimagnetic contacts gives rise to (i) spin-split kinks in the MR of single barriers and (ii) a robust beating pattern in the MR of double barriers with a semimagnetic well. We believe these are unique signatures for quantum filtering.
We study dynamics of tunnel Josephson junctions with a thin ferromagnetic layer F [superconductor-insulator-ferromagnet-superconductor (SIFS) junctions]. On the basis of derived equations relating the superconducting phase and magnetic moment to each other we analyze collective excitations in the system and find a new mode which is a hybrid of plasmalike and spin waves. The latter are coupled together in a broad range of parameters characterizing the system. Using the solution describing the collective modes we demonstrate that besides the Fiske steps new peaks appear on the I-V characteristic…
A superconducting ring with a pi junction made from superconductor/ferromagnetic-metal/superconductor (S-FM-S) exhibits a spontaneous current without an external magnetic field in the ground state. Such pi ring provides so-called quiet qubit that can be efficiently decoupled from the fluctuation of the external field. However, the usage of the FM gives rise to strong Ohmic dissipation. Therefore, the realization of pi junctions without FM is expected for qubit applications. We theoretically consider the possibility of the pi coupling for S/Eu-chalcogenides/S junctions based on the d-f Hamilton…
We demonstrate that due to their spin-orbit interaction carbon nanotube cross-junctions have attractive spin projective properties for transport. First, we show that the junction can be used as a versatile spin filter as a function of a backgate and a static external magnetic field. Switching between opposite spin filter directions can be achieved by small changes of the backgate potential, and a full polarization is generically obtained in an energy range close to the Dirac points. Second, we discuss how the spin filtering properties affect the noise correlators of entangled electron pairs, w…
We present a powerful and general approach to describe the coupling of Majorana fermions to external leads, of interacting or non-interacting electrons. Our picture has the Klein factors of bosonization appearing as extra Majoranas hybridizing with the physical ones. We demonstrate the power of this approach by solving a highly nontrivial SO(M) Kondo problem arising in topological superconductors with M Majorana-lead couplings, allowing for arbitrary M and for conduction electron interactions. We find that these topological Kondo problems give rise to robust non-Fermi liquid behavior, even for…
Obtaining highly spin-polarized currents in molecular junctions is crucial and desirable for nanoscale spintronics devices. Motivated by our recent symmetry-based theoretical argument for complete blocking of one spin conductance channel in atomic-scale junctions [A. Smogunov and Y. J. Dappe, Nano Lett. 15, 3552 (2015)], we explore the generality of the proposed mechanism and the degree of achieved spin-polarized current for various ferromagnetic electrodes (Ni, Co, Fe) and two different molecules, quaterthiophene and p-quaterphenyl. A simple analysis of the spin-resolved local density of stat…
We discuss theoretical approaches to nonlinear optical spectroscopy of molecular junctions. Optical response functions are derived in the form convenient for implementation of Green function techniques, and their expressions in terms of pseudoparticle nonequilibrium Green functions are proposed. The formulation allows to account for both intra-molecular interactions and hybridization of molecular states due to coupling to contacts. Two-dimensional optical spectroscopy in junctions is considered as an example.
Spin filter tunnel junctions are based on selective tunneling of up and down spin electrons controlled through exchange splitting of the band structure of a ferromagnetic insulator. Therefore, spin filter efficiency can be tuned by adjusting exchange strength of the tunnel barrier. We have observed that magnetic field and bias voltage (current) can be used to regulate exchange strength and consequently spin-filter efficiency in tunnel junctions with ferromagnetic DyN and GdN tunnel barrier. In tunnel junctions with DyN barrier we obtained $\sim$37$\%$ spin polarization of tunneling electrons a…
Dissipative properties of the electromagnetic environment as well as on-chip RC filtering are shown to suppress random state switchings in the two-junction superconductor(S) - normal metal(N) electron trap. In our experiments, a local high-ohmic resistor increased the hold time of the trap by up to two orders of magnitude. A strong effect of on-chip noise filtering was observed for different on-chip geometries. The obtained results are promising for realization of the current standard on the basis of the S-N hybrid turnstile.
We propose spin transfer torque--magnetoresistive random access memory (STT-MRAM) based on magneto-resistance and spin transfer torque physics of band-pass spin filtering. Utilizing the electronic analogs of optical phenomena such as anti-reflection coating and resonance for spintronic devices, we present the design of an STT-MRAM device with improved features when compared with a traditional trilayer device. The device consists of a superlattice heterostructure terminated with the anti-reflective regions sandwiched between the fixed and free ferromagnetic layers. Employing the Green's functio…
We examine scattering properties of singular vertex of degree $n=2$ and $n=3$, taking advantage of a new form of representing the vertex boundary condition, which has been devised to approximate a singular vertex with finite potentials. We show that proper identification of $δ$ and $δ'$ components in the connection condition between outgoing lines enables the designing of quantum spectral branch-filters.
One of the important issues of molecular spintronics is the control and manipulation of charge transport and, in particular, its spin polarization through single-molecule junctions. Using $ab$ $initio$ calculations, we explore spin-polarized electron transport across single benzene derivatives attached with six different anchoring groups (S, CH$_3$S, COOH, CNH$_2$NH, NC and NO$_2$) to Ni(111) electrodes. We find that molecule-electrode coupling, conductance and spin polarization (SP) of electric current can be modified significantly by anchoring groups. In particular, a high spin polarization …
We present transport measurements on a lateral p-n junction in an inverted InAs/GaSb double quantum well at zero and nonzero perpendicular magnetic fields. At a zero magnetic field, the junction exhibits diodelike behavior in accordance with the presence of a hybridization gap. With an increasing magnetic field, we explore the quantum Hall regime where spin-polarized edge states with the same chirality are either reflected or transmitted at the junction, whereas those of opposite chirality undergo a mixing process, leading to full equilibration along the width of the junction independent of sp…
We provide conclusive experimental evidence that zero bias anomaly in the differential resistance of magnetic tunnel junctions (MTJs) is due to electron-electron interaction (EEI), clarifying a long standing issue. Magnon effect that caused confusion is now excluded by measuring at low temperatures down to 0.2 K and with reduced AC measurement voltages down to 0.06 mV. The normalized change of conductance is proportional to $\ln{(eV/k_{B}T)}$, consistent with the Altshuler-Aronov theory of tunneling that describes the reduction of density of states due to EEI, but inconsistent with magnetic im…
The spin filtering effect in the bilayer nanowire with quantum point contact is investigated theoretically. We demonstrate the new mechanism of the spin filtering based on the lateral inter-subband spin-orbit coupling, which for the bilayer nanowires has been reported to be strong. The proposed spin filtering effect is explained as the joint effect of the Landau-Zener inter-subband transitions caused by the hybridization of states with opposite spin (due to the lateral Rashba SO interaction) and the confinement of carriers in the quantum point contact region.
Strength of the the symmetry spin filtering effect (as defined by the asymptotic behavior of the tunneling magnetoresistance (TMR) at large barrier thicknesses induced by this effect) is studied for the Fe/MgO/Fe magnetic tunnel junctions (MTJ). Based on the analysis of the band structure of bulk Fe and complex band structure of MgO we predict \emph{native} for the symmetry spin filtering effect linear increase of the TMR in Fe/MgO/Fe MTJ with increasing number of MgO layers, $N$. \emph{Ab initio} calculations of transmission functions performed for the Fe/MgO/Fe MTJ confirm our theoretical pr…
In this paper we present theoretical studies of spin dependent transport in Fe/Cr/MgO/Fe tunnel junctions with non-collinear alignment of magnetizations of metallic layers comprising these MTJs. Calculations are performed with use of non-equilibrium Green function technique in the framework of Keldysh formalism. WKB approximation is used for wave and Green functions in the trapezoidal barrier region under applied voltage. Electronic structure of ferromagnetic electrodes is modeled with two bands model, i.e. with majority s-electrons and minority d-holes. Furthermore, we introduce s-d hybridiza…
We investigate real- and lattice-spin currents controlled by strain in a silicene-based junction, where chemical potential, perpendicular electric field and circularly polarized light are applied into the strained barrier. We find that the junction yields strain filtering effect with perfect strain control of real- (or lattice-) spin currents. (i) By applying electric field without circularly polarized light we show that total current is carried by pure lattice-spin up (or down) electrons tunable by strain. (ii) When circularly polarized light is irradiated onto silicene sheet without applying…
Experimental studies of FeCoB/MgO/FeCoB tunnel junctions indicate that boron diffuses into MgO during rf-sputtering and forms polycrystalline Mg-B-O regions. These tunnel junctions provide high tunneling magnetoresistance values and low RA products. However the crystal structure of the Mg-B-O region remains unknown. Using density functional techniques, I examine three potential Mg(B) oxides including Mg$_{2}$B$_{2}$O$_{5}$ (monoclinic and triclinic) and the orthorhombic mineral Kotoite (Mg$_3$B$_2$O$_6$). Kotoite is the best candidate for formation in magnetic tunnel junctions. The (100) surfa…
We study the transport properties of Dirac electrons across a two-dimensional normal metal-barrier-normal metal (NBN) interfaces in monolayer borophane. We analyse the transmission probability with variation of the width of the barrier region, the incidence energy and transverse momentum. We demonstrate that a gap exists in the transmission probability spectrum and the position, width of transmission gap can be tuned by the barrier strength and transverse momentum respectively. We point out the variation of the ballistic tunneling conductance as a function of the width of the barrier region an…
We numerically investigate the Josephson transport through ferromagnetic insulators (FIs) by taking into account its band structure. By use of the recursive Green's function method, we found the formation of the pi junction in the case of the fully spin-polarized FI (FPFI), e.g., La$_2$BaCuO$_5$. Moreover, the 0-pi transition is induced by increasing the thickness of FPFI. On the other hand, Josephson current through the Eu chalcogenides shows the pi junction behavior in the case of the strong d-f hybridization between the conduction d and the localized f electrons of Eu. Such FI-based Josephs…
The miniaturization of thermoelectric nanojunctions raises a fundamental question: do the thermoelectric quantities of the bridging materials in nanojunctions remain to display material properties or show junction properties? In order to answer this question, we investigate the Seebeck coefficient $S$ and the thermoelectric figure of merit $ZT$ especially in relation to the length characteristics of the junctions from the first-principles approaches. For $S$, the metallic atomic chains reveal strong length characteristics related to strong hybridization in the electronic structures between the…
Phase slips in a one-dimensional closed array of Josephson junctions hybridize the persistent current states (PCS) and plasmon branches of excitations. The interference between phase slips passing through different junctions of the array makes the hybridization sensitive to the charges of the superconducting islands comprising the array. This in turn results in the Aharonov-Casher effect for plasmons, which in absence of phase slips are insensitive to island charges.
The hybridization of $σ$ and $π$ orbitals of carbon atoms in graphene depends on the surface curvature. Considering a single junction between flat and rippled graphene subsystems, it is found an accumulation of charge in the rippled subsystem due to Klein penetration phenomenon that gives rise to n-p junction. Using this fact, we show that the momentum distribution of electrons in ballisitically propagating beam can be selective without a waveguide, or external electric, and/or magnetic fields in graphene strip under experimentally feasible one-dimensional periodic potential. Such a potential …
An odd-occupied quantum dot in a Josephson junction can flip transmission phase, creating a π-junction. When the junction couples topological superconductors, no phase flip is expected. We investigate this and related effects in a full-shell hybrid interferometer, using gate voltage to control dot-junction parity and axial magnetic flux to control the transition from trivial to topological superconductivity. Enhanced zero-bias conductance and critical current for odd parity in the topological phase reflects hybridization of the confined spin with zero-energy modes in the leads.
Electron transport through a quantum dot coupled to superconducting leads shows a sharp conductance onset when a quantum dot orbital level crosses the superconducting coherence peak of one lead. We study superconducting single electron transistors in the weak coupling limit by connecting individual gold nanoparticles with aluminum junctions formed by electromigration. We show that the transport features close to the conductance onset threshold can be accurately described by the quantum dot levels' hybridization with the leads, which is strongly enhanced by the divergent density of states at th…
In this work, the rich ground-state structure of orthogonally-coupled symmetric all-antiferromagnetic junctions with easy-plane anisotropy is reported. Spin reorientation process rather than the traditional spin flop (SF) occurs, resulting in a novel phase in which Néel vectors preserve the mirror-reflection symmetry (termed as ``MRS phase"). The phase transitions between SF and MRS phases can be either the first- or second-order. After disturbed by external stimuli, magnons with different parities emerge. For in-plane dc fields, no couplings between magnons occur. When dc fields become obliqu…
Spin-dependent electronic transport properties of Fe-terminated zig-zag graphene nanoribbons (zGNR) have been studied using first-principles transport simulations. The spin configuration of proposed zGNR junction can be controlled with external magnetic field, and the tunneling junction show MR>1000 at small bias and is a perfect spin-filter by applying uniform external magnetic filed at small bias.
The electronic properties of junctions defined electrostatically on twisted bilayer graphene can be addressed theoretically using lattice models. Recent works have introduced minimal local orbital models to describe twisted bilayer graphene at the magic angle (MATBLG) with different degrees of approximation and accounting for fragile topology. In the present work we use a Green's function formalism to obtain the spectral and transport properties for MATBLG junctions based on these models. We introduce different symmetry breaking perturbations to simulate the effect of interactions and characte…
We investigate the nonequilibrium population of a vibrational mode in the steady state of a biased molecular junction, using a rate equation approach. We focus on the limit of weak electronic-vibrational coupling and show that, in the resonant transport regime and for sufficiently high bias voltages, the level of vibrational excitation increases with decreasing coupling strength, assuming a finite and non-zero value. An analytic behavior with respect to the electronic-vibrational coupling strength is only observed if the influence of environmental degrees of freedom is explicitly taken into ac…
We study the effect of image potential on spin polarized transport through Fe/MgO/Fe magnetic tunnel junctions in the presence of symmetry filtering. The image potential is included within the Simmon's model coupled with the non-equilibrium Green's function formalism to calculate the quantum transport. The increase in the current densities for the $Δ_1$ symmetry and the $Δ_5$ symmetry bands due to the image potential is more pronounced at higher bias, whereas, the increase in the magnitude of the tunnel magnetoresistance ratio is more prominent at lower bias for various barrier thicknesses.
AlN and ZnO, two wide band-gap semiconductors extensively used in the display industry, crystallise in the wurtzite structure, which can favour the formation of epitaxial interfaces to close-packed common ferromagnets. Here we explore these semiconductors as material for insulating barriers in magnetic tunnel junctions. In particular, the {\it ab initio} quantum transport code {\it Smeagol} is used to model the $X$[111]/$Y$[0001]/$X$[111] ($X=$ Co and Fe, $Y=$ AlN and ZnO) family of junctions. Both semiconductors display a valance-band top with $p$-orbital character, while the conduction band …
Generating efficient and highly spin-polarized currents through nanoscale junctions is essential in the field of nanoelectronics and spintronics. In this paper, using $ab$ $initio$ electron transport calculations, we predict highly conductive and perfect spin filtering of nickel atomic contacts in a nitrogen environment, where a single N$_2$ molecule sits in parallel (energetically most favorable) between two nickel electrodes. Such a particular performance is due to the wave function orthogonality between majority spin $s$-like states of ferromagnetic electrodes and the lowest unoccupied mole…
Wave effects of phonons can give rise to controllability of heat conduction beyond that by particle scattering at surfaces and interfaces. In this work, we propose a new class of 3D nanostructure: a silicon-nanowire-cage (SiNWC) structure consisting of silicon nanowires (SiNWs) connected by nano-cross-junctions (NCJs). We perform equilibrium molecular dynamics (MD) simulations, and find an ultralow value of thermal conductivity of SiNWC, 0.173 Wm-1K-1, which is one order lower than that of SiNWs. By further modal analysis and atomistic Green's function calculations, we identify that the large …
We present studies of ballistic transport in three terminal T-shaped junction in a linear and non-linear regime. The floating electrode acts as a scatterer and modifies the conductance in a direct channel (between source and drain electrode). In the low voltage limit, the conductance shows the Wigner threshold effect and the bend resistance. A specific shape of the Wigner singularities can be changed by applied voltage to the floating electrode as well as by a shift of the Fermi level. The system also exhibits filtering properties with current distribution between different modes propagating i…
We propose the "Andreev molecule", an artificial quantum system composed of two closely spaced Josephson junctions. The coupling between Josephson junctions in an Andreev molecule occurs through the overlap and hybridization of the junction's "atomic" orbitals, Andreev Bound States. A striking consequence is that the supercurrent flowing through one junction depends on the superconducting phase difference across the other junction. Using the Bogolubiov-de-Gennes formalism, we derive the energy spectrum and non-local current-phase relation for arbitrary separation. We demonstrate the possibilit…
Controlling electronic transport through a single-molecule junction is crucial for molecular electronics or spintronics. In magnetic molecular devices, the spin degree-of-freedom can be used to this end since the magnetic properties of the magnetic ion centers fundamentally impact the transport through the molecules. Here we demonstrate that the electron pathway in a single-molecule device can be selected between two molecular orbitals by varying a magnetic field, giving rise to a tunable anisotropic magnetoresistance up to 93%. The unique tunability of the electron pathways is due to the magn…
We present a quantum model which provides enhanced understanding of recent transverse magnetic focusing experiments on graphene $p$-$n$ junctions. Spatially resolved flow maps of local particle current density show quantum interference and $p$-$n$ junction filtering effects which are crucial to explaining the device operation. The Landauer-Büttiker formula is used alongside dephasing edge contacts to give exceptional agreement between simulated non-local resistance and the recent experiment by Chen $\textit{et al}$ ($\textit{Science}$, 2016). The origin of positive and negative focusing resona…
Supercurrent transport is experimentally studied in a Josephson junction hosting a double quantum dot (DQD) with tunable symmetries. The QDs are parallel-coupled to two superconducting contacts and can be tuned between strong inter-dot hybridization and a ring geometry where hybridization is suppressed. In both cases, we observe supercurrents when the two interacting orbitals are either empty or filled with spins, or a combination. However, when each QD hosts an unpaired spin, the supercurrent depends on the spin ground state. It is strongly suppressed for the ring geometry with a spin-triplet…
This chapter presents a review on spin transfer torque in magnetic tunnel junctions. In the first part, we propose an overview of experimental and theoretical studies addressing current-induced magnetization excitations in magnetic tunnel junctions. The most significant results are presented and the main observable characteristics are discussed. A description of the mechanism of spin transfer in ferromagnets is finally proposed. In the second part, a quantum description of spin transport in magnetic tunnel junctions with amorphous barrier is developed. The role of spin-dependent reflections as…
The quantum Hall regime of graphene has many unusual properties. In particular, the presence of a Zeeman field opens up a region of energy within the zeroth Landau level, where the spin-up and spin-down states localized at a single edge propagate in opposite directions. We show that when these edge states are coupled to an s-wave superconductor, the transport of charge carriers is spin-filtered. This spin-filtering effect can be traced back to the interplay of specular Andreev reflections and Andreev retro-reflections in the presence of a Zeeman field.
We investigate electronic thermal rectification in ferromagnetic insulator-based superconducting tunnel junctions. Ferromagnetic insulators coupled to superconductors are known to induce sizable spin splitting in the superconducting density of states, and also lead to efficient spin filtering if operated as tunnel barriers. The combination of spin splitting and spin filtering is shown to yield a substantial self-amplification of the electronic heat diode effect due to breaking of the electron-hole symmetry in the system which is added to the thermal asymmetry of the junction. Large spin splitt…
2D abrupt nano-junctions blending sp-sp2 bonds on atomically precise heterostructures
Politecnico di Milano（米兰理工大学）；Università degli Studi di Milano（米兰大学）；INFN Sezione di Milano（意大利国家核物理研究所米兰分部）；Università di Pavia（帕维亚大学）；Università Degli Studi Di Padova（帕多瓦大学）；Instituto de Nanociencia y Materiales de Aragon (INMA), CSIC-Universidad de Zaragoza（阿拉贡纳米科学与材料研究所（INMA），西班牙国家科学研究委员会-萨拉戈萨大学）
We study spin-valley and lattice-pseudo spin currents in a dual ferromagnetic-gated silicene-based junction. Silicene has buckled atomic structure which allows us to take sublattice-dependent ferromagnetism into account in the investigation. One of the study results show that transmission at the junctions exhibits anisotropic property only in anti-parallel cases. Interestingly, the studied junctions can be switched from a pure spin-polarizer to a pure valley-polarizer by reversing directions of exchange fields in the parallel junctions. The perfect control of spin-valley currents can be done o…
We investigate the tunneling magnetoresistance in magnetic tunnel junctions (MTJs) comprised of Weyl semimetal contacts. We show that chirality-magnetization locking leads to a gigantic tunneling magnetoresistance ratio, an effect that does not rely on spin filtering by the tunnel barrier. Our results indicate that the conductance in the anti-parallel configuration is more sensitive to magnetization fluctuations than in MTJs with normal ferromagnets, and predicts a TMR as large as 10^4 % when realistic magnetization fluctuations are accounted for. In addition, we show that the Fermi arc states…
Electron transport through a diatomic molecular tunnel junction shows wave like interference phenomenon. By using Keldysh non-equilibrium Green's function (NEGF) theory, we have explicitly presented current and differential conductance calculation for a diatomic molecular and two isolated atoms (two atoms having zero hybridization between their energy orbital) tunnel junctions. In case of a diatomic molecular tunnel junction, Green's function propagators entering into current and differential conductance formula interfere constructively for a molecular anti-bonding state and destructively for …
Motivated by the recent achievements in manipulation of C60 molecules in STM experiments, we study theoretically the structure and electronic properties of a C60 molecule in an STM-tunneljunction with a magnetic tip and magnetic adatom on a Cu(111) surface from first-principle calculations. For the case of V tip/adatom, we demonstrate how spin-coupling between the magnetic V atoms mediated by the C60 can be observed in the electronic transport, which display a strong spin-filtering effect, allowing mainly majority-spin electrons to pass(>95%). Moreover, we find a significant change in the cond…
The effect of spin filtering and spin mixing on the dc electric current for voltage biased magnetic quantum point contact with superconducting leads is theoretically studied. The I-V characteristics are calculated for the whole range of spin filtering and spin mixing parameters. It is found that with increasing of spin filtering the subharmonic step structure of the dc electric current, typical for low-transparency junction and junction without considerable spin filtering qualitatively changes. In the lower voltage region and for small enough spin mixing the peak structure arises. When spin mi…
