Spin-dependent Transport Properties Research Articles

Spin-dependent conductance and magnetoresistance ratio in two magnetic-barrier structures

An improved transfer matrix method is developed with modular matrices for rectangular electric and magnetic vector potentials, as well as the δ-function like potentials. As an example, the spin-dependent conductance in two-dimensional electron gas under modulation of two magnetic barriers are recalculated and compared with those illustrated in (Wang et al. Chin. Phys. B 19, 037301(2010)). The previous results are found inaccurate, their transfer matrix was derived for slowly varying magnetic vector potential, which is inappropriate for δ-function like Zeeman interaction potentials. Furthermore, the last transfer matrix of eq. (4) is also found incorrect, and the Zeeman interaction is wrongly expressed and mistakenly enhanced about (1/0.067 ≈ 15) times. Our improved method here is general and is demonstrated very fast forevaluating various spin-dependent transport properties in complex hybrid magnetic–electric structures.

Giant spin seebeck effect with highly polarized spin current generation and piezoelectricity in flexible V2SeTeO altermagnet at room temperature

Studies on altermagnetic materials are attracting extensive research efforts owing to their directional dependent spin split band structure. However, it is rare to find reports on the possibility of multifunctionality in altermagnetic systems. Here, we explore the spin dependent transport properties and piezoelectricity of two-dimensional V2SeTeO altermagnet. The V2SeTeO system has a direct band gap of 0.32 eV with a Neel temperature of 510 K. We find a giant effective Seebeck coefficient of 0.64 mV/K at 300 K. This is several times larger than that found in bulk and other two-dimensional materials. Moreover, the effective Seebeck effect is entirely determined by either only spin-up or spin-down component. This feature implies that we can generate highly spin polarized current by temperature gradient at room temperature. We attribute this pure spin current generation to the directional dependent spin split band structure. Along with the spin dependent transport properties, we also find that the Janus V2SeTeO altermagnet shows outstanding flexibility and piezoelectric response with out-of-plane piezoelectric coefficient of d31=0.245pm/V. Overall, we propose that the V2SeTeO altermagnet system exhibits multifunctional physical properties at room temperature, and this can be utilized for potential spintronics and flexible piezoelectric applications simultaneously.

Half-Metallic Transport and Spin-Polarized Tunneling through the van der Waals Ferromagnet Fe4GeTe2.

We examine the coherent spin-dependent transport properties of the van der Waals (vdW) ferromagnet Fe4GeTe2 using density functional theory combined with the nonequilibrium Green's function method. Our findings reveal that the conductance perpendicular to the layers is half-metallic, meaning that it is almost entirely spin-polarized. This property persists from the bulk to a single layer, even under significant bias voltages and with spin-orbit coupling. Additionally, using dynamical mean field theory for quantum transport, we demonstrate that electron correlations are important for magnetic properties but minimally impact the conductance, preserving almost perfect spin-polarization. Motivated by these results, we then study the tunnel magnetoresistance (TMR) in a magnetic tunnel junction consisting of two Fe4GeTe2 layers with the vdW gap acting as an insulating barrier. We predict a TMR ratio of ∼500%, which can be further enhanced by increasing the number of Fe4GeTe2 layers in the junction.

Dual spin filtering and dual spin diode through a zigzag silicene nanoribbon

In this study, we investigate the spin-dependent electron transport properties of a zigzag silicene nanoribbon (ZSiNR) by using spin-polarized density functional theory and the non-equilibrium Green’s function method. The results show that such a ZSiNR with an FM configuration exists the perfect dual spin filtering and dual spin diode effects when the bias voltage was applied. These phenomena still exist in ZSiNRs with different widths. As the ribbon width increases, the progressively smaller bias voltage is required to trigger a polarized current. Therefore, such a ZSiNR in FM configuration is a good candidate for spintronic devices.

Ultrahigh tunneling magnetoresistance ratios in the sandwich-structured full MXene Cr2NO2/Ti2CO2/Cr2NO2 van der Waals heterojunction

In this study, the structure, magnetism, energy-band, and spin-dependent electron transport properties of the Cr2NO2/Ti2CO2/Cr2NO2 magnetic tunnel junction (MTJ) were investigated using a combination of density functional theory and non-equilibrium Green’s function methods. The calculation band structures indicate that Cr2NO2 MXene is an “ideal” half-metal with a magnetic moment of 5.00 μB. Ti2CO2 MXene is an indirect band-gap semiconductor, and the Cr2NO2/Ti2CO2-stacked heterojunction reserve 100 % spin polarization because of the weak Van der Waals interface interaction. For the equilibrium state of the most stable Cr2NO2/Ti2CO2/Cr2NO2 MTJ, the total transmission coefficient for parallel configuration is about eleven orders of magnitude larger than that for anti-parallel configuration. An ultrahigh tunneling magnetoresistance (TMR) ratio of 1.92×1013% can be detected. For the non-equilibrium state, our calculation results show that the Cr2NO2/Ti2CO2/Cr2NO2 MTJ has a good transport performance when bias voltage ranges from 0 V to 0.1 V. The minimum TMR ratio of 7.51×1012% is detected at the bias voltage of 0.09 V, which can be considered as an excellent TMR ratio. Therefore, the Cr2NO2/Ti2CO2/Cr2NO2 MTJ is an excellent candidate for spintronic device application.

Modulating the electronic transport properties of zigzag phosphorene nanoribbons through the coupling with the chromium triiodide molecules

Based on density functional theory (DFT) and non-equilibrium Green's function (NEGF) method, we have investigated spin-dependent electronic transport properties of zigzag phosphorene nanoribbons (ZPNRs) coupled with chromium triiodide (CrI3) molecules. Three different adsorption models have been considered: CrI3 molecule is placed on ZPNR surface (C-type), and CrI3 molecule is lateral adsorbed on the edge of ZPNR with its molecule panel vertical (V-type) or parallel (P-type). We discovered that ZPNR's electrical transport clearly displays spin polarization, owing to the coupling between ZPNR and CrI3 molecules. And spin-polarization is tightly dependent on the absorbing manners. Moreover, the negative differential resistance (NDR) characteristics can be observed from current-voltage curves and modulated by absorbing molecules. Furthermore, we also discovered that CrI3 is vertically adsorbed on the surface of the ZPNRs has a better spin-polarization efficiency than the other two cases.

Unlocking the role of 3d electrons on ferromagnetism and spin-dependent transport properties in K2GeNiX6 (X=Br, I) for spintronics and thermoelectric applications

In our quest for novel materials, we undertake a rigorous ab-initio investigation to unravel the structural stability, electronic profile, and thermoelectric properties of halide double perovskites K2GeNiX6 (X = Br, I). Our exploration commences with a meticulous evaluation of structural and thermodynamic stability, utilizing diverse metrics for comprehensive scrutiny. Subsequently, we optimize the structures using the GGA-PBE potential at the behest of the Birch-Murnaghan equation of state to identify energetically favoured configurations. The ferromagnetic phase emerges as the ground state, supported by positive Curie-Weiss constant values of 120 K for K2GeNiBr6 and 100 K for K2GeNiI6, respectively. To elucidate the precise determination of the electronic structure, we utilized the highly sophisticated TB-mBJ potential, unveiling a ferromagnetic semiconductor nature for both materials. The band structure exhibits a pronounced asymmetry, indicating the presence of spin-magnetic moments. Notably, K2GeNiBr6 and K2GeNiI6 display substantial magnetic moments of 2 μB each, primarily associated with the 3d-transition element Ni2+. Additionally, we determine the Curie temperature, disclosing substantial values of 510 K and 430 K for K2GeNiBr6 and K2GeNiI6, respectively. Our investigation extends to encompass thermodynamic parameters, considering vibrational contributions to internal energy, Helmholtz free energy, and other factors that collectively serve as indicators of thermal stability. Finally, we examine the impact of both chemical potential and temperature variations on key thermoelectric parameters, specifically the Seebeck coefficient, electrical conductivity, and the figure of merit (zT). The findings unveil a significant thermoelectric figure of merit (zT) with values of 1.00 and 0.99 for K2GeNiBr6 and K2GeNiI6, respectively. The overall comprehensive analysis underscores the substantial potential of these tailored materials in applications pertaining to semiconductor spintronics and thermoelectric devices.

Large tunneling magnetoresistance and its high bias stability in Weyl half-semimetal based lateral magnetic tunnel junctions

Magnetic tunnel junctions (MTJs) based on novel states of two-dimensional (2D) magnetic materials will significantly improve the value of the tunneling magnetoresistance (TMR) ratio. However, most 2D magnetic materials exhibit low critical temperatures, limiting their functionality to lower temperatures rather than room temperature. Moreover, most MTJs experience the decay of TMR ratio at large bias voltages within a low spin injection efficiency (SIE). Here, we construct a series of MTJs with Weyl half-semimetal (WHSM, e.g. MnSiS3, MnSiSe3, and MnGeSe3 monolayers) as the electrodes and investigate the spin-dependent transport properties in these kind of lateral heterojunctions by employing density functional theory combined with non-equilibrium Green’s function method. We find that an ultrahigh TMR (∼109%) can be obtained firmly at a small bias voltage and maintains a high SIE even at a large bias voltage, and MnSiSe3 monolayer is predicted to exhibit a high critical temperature. Additionally, we reveal that the same structure allows for the generation of fully spin-polarized photocurrent, irrespective of the polarization angle. These findings underscore the potential of WHSMs as candidate materials for high-performance spintronic devices.

Controllable spin transport in a zigzag silicene nanoribbon embedding multiple rectangular quantum dots

Based on the recursive Green-function method together with Landauer–Büttiker formalism, the spin-dependent transport properties of electrons in a zigzag silicene nanoribbon embedding multiple rectangular quantum dots (QDs) are investigated. According to an analysis of the energy band under the periodically distributed electric field and exchange ferromagnetic field, the parallel exchange field induced by the ferromagnetic insulators eliminates the spin degeneracy, which leads to spin-polarized transport in the proposed structure. By tuning a periodic electric field, we found the relationship between the number of QDs and the splitting peak for conductance in the anti-parallel exchange field. We discover the population of electrons near QDs by calculating the local density of states. The effect of the geometry of periodic QDs on the shift of resonance peak is evaluated. The spin polarization is further explored for various configurations of electric field and exchange field in order to manipulate the spin filtering more effectively. The results provide an avenue to design a controllable spin bandpass filter with the modulation of electric field and exchange field.

First-principle study of spin transport property in L10-FePd(001)/graphene heterojunction

In our previous work, we synthesized a metal/2D material heterointerface consisting of L10-ordered iron–palladium (FePd) and graphene (Gr) called FePd(001)/Gr. This system has been explored by both experimental measurements and theoretical calculations. In this study, we focus on a heterojunction composed of FePd and multilayer graphene referred to as FePd(001)/m-Gr/FePd(001), where m represents the number of graphene layers. We perform first-principles calculations to predict their spin-dependent transport properties. The quantitative calculations of spin-resolved conductance and magnetoresistance (MR) ratio (150%–200%) suggest that the proposed structure can function as a magnetic tunnel junction in spintronics applications. We also find that an increase in m not only reduces conductance but also changes transport properties from the tunneling behavior to the graphite π-band-like behavior. Additionally, we investigate the spin-transfer torque-induced magnetization switching behavior of our junction structures using micromagnetic simulations. Furthermore, we examine the impact of lateral displacements (sliding) at the interface and find that the spin transport properties remain robust despite these changes; this is the advantage of two-dimensional material hetero-interfaces over traditional insulating barrier layers such as MgO.

Spintronic performance of bent zigzag phosphorene nanoribbons: effects of mechanical deformation and gate voltage.

This study explores the spintronic properties of an innovative device incorporating in-plane bent zigzag phosphorene nanoribbons (ZPNRs). The device features ZPNRs with a channel length of 23.4 nm, bent into circular arcs with varying curvatures. We investigate the impact of mechanical deformation and gate voltage on the spin-dependent properties, including the density of states, transmission coefficients, and spin Seebeck coefficient (SSC). Our results demonstrate that the device exhibits a spin-semiconducting phase with tunable spin-splitting characteristics and spin-dependent transport properties, both of which are influenced by the curvature. An increase in the bending parameter markedly enhances spin splitting, leading to the SSC attaining values as high as 1.35 mV K-1. Moreover, the application of gate voltage further enhances both spin polarization and spin current. The significant impact of mechanical deformation and gate voltage on spintronic performance showcases the potential of bent ZPNRs for advanced applications.

Tunable multiple nonvolatile resistance states in a MnSe-based van der Waals multiferroic tunnel junction.

Two-dimensional (2D) van der Waals (vdW) multiferroic tunnel junctions (MFTJs) composed of a ferromagnetic metal and a ferroelectric barrier have controllable thickness and clean interface and can realize the coexistence of tunneling magnetoresistance (TMR) and tunneling electroresistance (TER). Therefore, they have enormous potential application in nonvolatile multistate memories. Here, using first principles combined with non-equilibrium Green's function method, we have systematically investigated the spin-dependent transport properties of Fe3GeTe2/MnSe/Fe3GeTe2 vdW MFTJs with various numbers of barrier layers. By controlling the polarization orientation of the ferroelectric barrier MnSe and the magnetization alignment of the ferromagnetic electrodes Fe3GeTe2, the MnSe-based MFTJs exhibit four nonvolatile resistance states, with the TMR (TER) becoming higher and reaching a maximum of 1.4 × 106% (4114%) as the MnSe layers increase from a bilayer to a tetralayer. Using asymmetric Cu and Fe3GeTe2 as the electrodes, the TER can be further improved from 349% to 618%. Moreover, there is a perfect spin filtering effect in these MFTJs. This work demonstrates the potential applications of MnSe-based devices in multistate nonvolatile memories and spin filters, which will stimulate experimental studies on layer-controllable spintronic devices.

Local symmetry-driven interfacial magnetization and electronic states in (ZnO)n/(w-FeO)n superlattices.

Superlattices constructed with the wide-band-gap semiconductor ZnO and magnetic oxide FeO, both in the wurtzite structure, have been investigated using spin-polarized first-principles calculations. The structural, electronic and magnetic properties of the (ZnO)n/(w-FeO)n superlattices were studied in great detail. Two different interfaces in the (ZnO)n/(w-FeO)n superlattices were identified and they showed very different magnetic and electronic properties. Local symmetry-driven interfacial magnetization and electronic states can arise from different Fe/Zn distributions at different interfaces or spin ordering of Fe in the superlattice. The local symmetry-driven interfacial magnetization and electronic states, originating either from different Fe/Zn distribution across interfaces I and II, or by spin ordering of Fe in the superlattice, can be identified. It was also found that, in the case of the ferromagnetic phase, the electrons are more delocalized for the majority spin but strongly localized for the minority spin, which resulted in interesting spin-dependent transport properties. Our results will pave the way for designing novel spin-dependent electronic devices through the construction of superlattices from semiconductors and multiferroics.

First-principles study of two-dimensional half-metallic ferromagnetism in CrSiSe4 monolayer

Two-dimensional (2D) ferromagnetic (FM) half-metallic materials have attracted intensive attention due to their unique electronic and magnetic properties and potential applications in spintronic devices. In this study, we predicted a stable 2D half-metallic material monolayer CrSiSe4 using first-principles density functional theory. The structure, electronic and magnetic properties were systematically studied. The calculations show that the monolayer CrSiSe4 is a dynamically stable FM half-metallic material. The spin-dependent transport properties and the Curie temperature up to 239 K are demonstrated. The spin band gap of monolayer CrSiSe4 was about 0.83 eV by the the Heyd–Scuseria–Ernzerhof function calculation. The magnetic anisotropy energy of each Cr atom in the monolayer of CrSiSe4 is eV. When the applied biaxial tensile strain is greater than 2%, monolayer CrSiSe4 spin-up conduction band and valence band will show a band gap at the Fermi level, and the electronic properties change from a half-metal to a semiconductor. Thus, the monolayer CrSiSe4 can provide an ideal candidate material for exploring 2D magnetic and spintronics experiments.

Performance analysis of fluorinated silicene based magnetic tunnel junction

Two-dimensional material based Spintronic devices are considered to be the promising next generation nano-electronic devices due to their low power, high speed and enhanced data storage capabilities. In this work, firstly we have investigated the effect of fluorination on the electronic/structural properties of zigzag/armchair silicene. Next, we have modelled a magnetic tunnel junction (MTJ) device consisting of CrO2 electrodes and fluorine passivated armchair silicene nanoribbon as scattering region. The spin dependent transport properties are calculated via first principles calculations combined with non-equilibrium Green's function formalism. The modeled MTJ device shows very large magnetoresistance as compared to the state of art reported devices and high spin injection efficiency. The spin-dependent transmission spectrum and density of states were calculated to elucidate the obtained transport characteristics.

Spin-dependent thermoelectric transport properties of Cr-doped blue phosphorene

We systematically investigate the thermoelectric (TE) properties of the Cr-doped blue phosphorene (blue-P) along the armchair and zigzag directions. First, we find the semiconducting band structure of the blue-P will become spin-polarized due to the Cr-doping, and can be seriously changed by the doping concentration. Then we show the Seebeck coefficient, the electronic conductance, the thermal conductance, and the figures of merit ZTs are all dependent on the transport directions and doping concentration. However, two pairs of the peaks of the charge and spin ZTs can be always observed with the low-height (high-height) pair on the side of the negative (positive) Fermi energy. In addition, at temperature 300 K the extrema of the charge (spin) ZTs of the blue-P along the two directions are kept to be larger than 22 (90) for the different doping concentrations and will be further enhanced at lower temperature. Therefore, we believe the Cr-doped blue-P should be a versatile high-performance TE material which may be used in the fields of the thermorelectrics and spin caloritronics.

Chiral Hybrid Perovskites (R-/S-CLPEA)4Bi2I10 with Enhanced Chirality and Spin–Orbit Coupling Splitting for Strong Nonlinear Optical Circular Dichroism and Spin Selectivity Effects

Chiral hybrid halide perovskites have attracted considerable attention in optoelectronics and spintronics owing to their unique optical, electric, and spin–orbit coupling (SOC) properties. In this article, with focus on the design scheme to increase the nonlinear optical (NLO) circular dichroism (CD) and spin selectivity effects by assembling chlorine-modified chiral R-/S-CLPEA [CLPEA = 1-(4-chlorophenyl)ethylamine] into bismuth-based perovskites, a pair of chiral hybrid perovskites (R-/S-CLPEA)4Bi2I10 were synthesized and characterized experimentally. A large NLO CD effect and strong spin-dependent charge transport were confirmed by the experimental measurements. The unique chirality-induced spin textures were illustrated in the SOC band structures from first-principles simulations. The combined theoretical and experimental results demonstrate that it is the synergic effect of large chirality of CLPEA and strong SOC effect of the Bi2I10 dimer that endows these perovskites with unique chiral spin textures, strong NLO CD effect, and remarkable spin-dependent charge transport properties, which are of importance for the functional design of chiral perovskites in nonlinear optics and spintronics.

A controllable spin flip and filter in zigzag graphene nanoribbons with triangular defect

Based on the recursive Green-function method together with Landauer-Büttiker formalism, we theoretically study the controllable spin-dependent electron transport properties by using zigzag graphene nanoribbons (ZGNRs) with triangular nanoconstrictions in the presence of the ferromagnetic strips and spatial modulation of Rashba spin-orbit coupling (RSOC). In this structure, the peaks of spin-flip and spin-conserved conductance can be modulated by the strength of RSOC and exchange magnetic field. The distribution of the local density of states (LDOS) around triangular nanoconstrictions is predicted. The spin filtering effect of ZGNRs with triangular and rectangular nanoconstrictions are compared by spin conductance from left (L) to right (R) lead and R to L lead, respectively. The results might be useful in designing a bidirectional spin converter and spin filter with the modulation of the multi-parameter.

Multifunctional spin transport behaviors of biphenyl-molecule-based nanodevices

For the development of low-power spin-multifunctional devices, we have explored the spin-dependent transport properties of nanodevices based on zigzag graphene nanoribbons bridged respectively by oblique, horizontal, and vertical connecting biphenyl molecules. Utilizing the first-principles calculations associated with the non-equilibrium Green's function methods, we found the superb transport results demonstrate that almost 100% spin polarization exists for the obliquely connected and horizontally connected biphenyl molecules devices in the parallel state (P). All of the designed devices exhibit excellent dual spin filtering efficiency and rectification effect in the antiparallel state (AP) with the rectification ratios up to 103, 104, and 105 for obliquely, horizontally, and vertically connected model devices, respectively. Simultaneously, a pronounced negative differential resistance effect can be observed in these devices independent of the spin state. Moreover, the thermal spin transport properties of the obliquely connected model device reveal an apparent Seebeck effect. Then, the length effect on the spin-resolved transport properties for the obliquely connected device have been conducted. Results reveal that the current values are highly tunable by changing the length of obliquely connected biphenyl molecules in the P state. Meanwhile, the doual spin filtering effect still remains, but its rectification effect gradually disappears with the increasing length of center scattering region in AP state. This study provides new insights into the design of multifunctional spin carbon-based and low power consumption devices.

Modulation of edge defects on dual-spin filtering in zigzag β-SiC7 nanoribbons.

The unique edge states of the zigzag β-SiC7 nanoribbons aroused our attention, and therefore, based on first-principles calculations, we investigated their spin-dependent electronic transport properties by constructing controllable defects to modulate these special edge states. Interestingly, by introducing rectangular edge defects in the SiSi and SiC edge-terminated systems, not only the spin-unpolarized is successfully converted to completely spin-polarized, but also the direction of polarization can be switched, thus enabling a dual spin filter. The analyses further reveal that the two transmission channels with opposite spins are spatially separated and that the transmission eigenstates are highly concentrated at the relative edges. The specific edge defect introduced only suppresses the transmission channel at the same edge but reserves the transmission channel at the other edge. In addition, for the CSi and CC edge-terminated systems, an additional spin-down band exists due to spin splitting in the spin-up band at EF, so that besides the original spatially separated two spin-opposite channels, an extra spin channel is distributed at the upper edge, resulting in unidirectional fully spin-polarized transport. The peculiar spatially separated edge states and excellent spin filtering properties could open up further possibilities for β-SiC7-based electronic devices in spintronics applications.