We present a computationally efficient transferable single-band tight-binding model (SBTB) for spin polarized transport in heterostructures with an effort to capture the band structure effects. As an example, we apply it to study transport through Fe-MgO-Fe(100) magnetic tunnel junction devices. We propose a novel approach to extract suitable tight-binding parameters for a material by using the energy resolved transmission as the benchmark, which inherently has the bandstructure effects over the two dimensional transverse Brillouin zone. The SBTB parameters for each of the four symmetry bands for bcc Fe(100) are first proposed which are complemented with the transferable tight-binding parameters for the MgO tunnel barrier for the Delta_1 and Delta_5 bands. The non-equilibrium Green's function formalism is then used to calculate the transport. Features like I-V characteristics, voltage dependence and the barrier width dependence of the tunnel magnetoresistance ratio are captured quantitatively and the trends match well with the ones observed by ab initio methods.
We have investigated electrical spin injection from Ni81Fe19 into an InAs quantum well through MgO tunneling barrier for potential application to InAs-based spin field effect transistor. Injected spin polarized current were detected in both nonlocal and local spin valve set-ups and the spin diffusion length and spin injection efficiency were analyzed. The spin diffusion length was estimated to be 1.6 μm in nonlocal set-up at 1.4 K. The spin polarization of Ni81Fe19/MgO/InAs as-deposited sample was relealed to be 6.9 %, while increased spin polarization of 8.9 % was observed by additional therm…
Employing femtosecond laser pulses in front and back side pumping of Au/Fe/MgO(001) combined with detection in two-photon photoelectron emission spectroscopy we analyze local relaxation dynamics of excited electrons in buried Fe, injection into Au across the Fe-Au interface, and electron transport across the Au layer at 0.6 to 2.0 eV above the Fermi energy. By analysis as a function of Au film thickness we obtain the electron lifetimes of bulk Au and Fe and distinguish the relaxation in the heterostructure's constituents. We also show that the excited electrons propagate through Au in a superd…
Magnetic heterostructure Mo/CoFeB/MgO has strong perpendicular magnetic anisotropy and thermal stability. Through current-induced hysteresis loop shift measurements, we show that the dampinglike spin-orbit torque (SOT) efficiency of Mo/CoFeB/MgO heterostructure is $ξ_{DL}\approx -0.003\pm 0.001$ and fairly independent of the annealing temperature from 300$^\circ$C to 400$^\circ$C. Though $|ξ_{DL}|$ is small while compare to those from Ta or W-based heterostructures, reversible current-induced SOT switching of a thermally-stable Mo/CoFeB/MgO heterostruture can still be achieved. Furthermore, we…
We study effects originating from the strong spin orbit coupling in CoFeB/MgO heterostructures with heavy metal (HM) underlayers. The perpendicular magnetic anisotropy at the CoFeB/MgO interface, the spin Hall angle of the heavy metal layer, current induced torques and the Dzyaloshinskii-Moriya interaction at the HM/CoFeB interfaces are studied for films in which the early 5d transition metals are used as the HM underlayer. We show how the choice of the HM layer influences these intricate spin orbit effects that emerge within the bulk and at interfaces of the heterostructures.
We have studied the underlayer thickness and temperature dependences of the current induced effective field in CoFeB|MgO heterostructures with Ta based underlayers. The underlayer thickness at which the effective field saturates is found to be different between the two orthogonal components of the effective field, i.e. the damping-like term tends to saturate at smaller underlayer thickness than the field-like term. For large underlayer thickness films in which the effective field saturates, we find that the temperature significantly influences the size of the effective field. A striking differ…
Motivated by observation of very high tunnel magnetoresistance (TMR) in Fe-MgO-Fe magnetic tunnel junction devices, we propose a theoretical model for these devices based on a single-band tight-binding approximation. An effort is made to capture the band dispersions over the two dimensional transverse Brillouin zone. In the transport direction, spin dependent Hamiltonian is prescribed for Delta_1 and Delta_5 bands. Non-equilibrium Green's function formalism is then used to calculate transport. Features like voltage dependence of TMR are captured quantitatively within this simple model and the …
We demonstrate efficient current induced spin orbit torque switching in perpendicularly magnetized epitaxial MgO(001)//Pd/Co2FeAl/MgO heterostructures grown by magnetron sputtering. The advantage of such heterostructures for spin orbit torque MRAM devices is that they allow a unique combination of critical ingredients: i) low resistivity required for reduced electric energy consumption during writing, ii) high TMR ratio required for efficient reading and iii) strong perpendicular magnetic anisotropy for increased thermal stability.
The Dzyaloshinskii-Moriya Interaction (DMI) has recently attracted considerable interest owing to its fundamental role in the stabilization of chiral spin textures in ultrathin ferromagnets, which are interesting candidates for future spintronic technologies. Here we employ a scanning nano-magnetometer based on a single nitrogen-vacancy (NV) defect in diamond to locally probe the strength of the interfacial DMI in CoFeB/MgO ultrathin films grown on different heavy metal underlayers X=Ta,TaN, and W. By measuring the stray field emanating from DWs in micron-long wires of such materials, we obser…
We investigate the spin Hall effect in perpendicularly magnetized Ta/Co40Fe40B20/MgO trilayers with Ta underlayers thicker than the spin diffusion length. The crystallographic structures of the Ta layer and Ta/CoFeB interface are examined in detail using X-ray diffraction and transmission electron microscopy. The thinnest Ta underlayer is amorphous, whereas for thicker Ta layers a disoriented tetragonal beta-phase appears. Effective spin-orbit torques are calculated based on harmonic Hall voltage measurements performed in a temperature range between 15 and 300 K. To account for the temperature…
Recent advances in the understanding of spin orbital effects in ultrathin magnetic heterostructures have opened new paradigms to control magnetic moments electrically. The Dzyaloshinskii-Moriya interaction (DMI) is said to play a key role in forming a Neel-type domain wall that can be driven by the spin Hall torque, a torque resulting from the spin current generated in a neighboring non-magnetic layer via the spin Hall effect. Here we show that the sign of the DMI, which determines the direction to which a domain wall moves with current, can be changed by modifying the adjacent non-magnetic la…
Recent advances in the understanding of spin orbital effects in ultrathin magnetic heterostructures have opened new paradigms to control magnetic moments electrically. The Dzyaloshinskii-Moriya interaction (DMI) is said to play a key role in forming a Neel-type domain wall that can be driven by the spin Hall torque, a torque resulting from the spin current generated in a neighboring non-magnetic layer via the spin Hall effect. Here we show that the strength and sign of the DMI can be changed by modifying the adjacent heavy metal underlayer (X) in perpendicularly magnetized X|CoFeB|MgO heterstr…
We study the ferromagnetic layer thickness dependence of the voltage-controlled magnetic anisotropy (VCMA) in gated CoFeB/MgO heterostructures with heavy metal underlayers. When the effective CoFeB thickness is below ~1 nm, the VCMA efficiency of Ta/CoFeB/MgO heterostructures considerably decreases with decreasing CoFeB thickness. We find that a high order phenomenological term used to describe the thickness dependence of the areal magnetic anisotropy energy can also account for the change in the areal VCMA efficiency. In this structure, the higher order term competes against the common interf…
Most recently, orbital-selective quantum well states of $d$ electrons have been experimentally observed in SrVO$_3$ ultrathin films [K. Yoshimatsu et. al., Science 333, 319 (2011)] and SrTiO$_3$ surfaces [A. F. Santander-Syro et. al., Nature 469, 189 (2011)]. Hitherto, one tries to explain these experiments by a nearly free electron (NFE) model, an approach widely used for delocalized electrons in semiconductor heterostructures and simple metal films. We show that a tight binding (TB) model is more suitable for describing heterostructures with more localized $d$ electrons. In this paper, we co…
The motion of magnetic domain walls in ultrathin magnetic heterostructures driven by current via the spin Hall torque is described. We show results from perpendicularly magnetized CoFeB|MgO heterostructures with various heavy metal underlayers. The domain wall moves along or against the current flow depending on the underlayer material. The direction to which the domain wall moves is associated with the chirality of the domain wall spiral formed in these heterostructures. The one-dimensional model is used to describe the experimental results and extract parameters such as the Dzyaloshinskii-Mo…
Atomically transparent vertically aligned ZnO-based van der Waals material have been developed by surface passivation and encapsulation with atomic layers of MgO using materials by design; the physical properties investigated. The passivation and encapsulation led to a remarkable improvement in optical and electronic properties. The valence-band offset $ΔE_v$ between MgO and ZnO, ZnO and MgO/ZnO, and ZnO and MgO/ZnO/MgO heterointerfaces are determined to be 0.37 $\pm$0.02, -0.05$\pm$0.02, and -0.11$\pm$0.02 eV, respectively; the conduction-band offset $ΔE_c$ is deduced to be 0.97$\pm$0.02, 0.4…
Photoexcited intralayer excitons in van der Waals heterostructures (vdWHs) with type-II band alignment have been observed to tunnel into interlayer excitons on ultrafast timescales. Such interlayer excitons have sufficiently long lifetimes that inducing dissociation with external in-plane electric fields becomes an attractive option of improving efficiency of photocurrent devices. In the present paper, we calculate interlayer exciton binding energies, Stark shifts, and dissociation rates for six different transition metal dichalcogenide (TMD) vdWHs using a numerical procedure based on exterior…
The role of current induced effective magnetic field in ultrathin magnetic heterostructures is increasingly gaining interest since it can provide efficient ways of manipulating magnetization electrically. Two effects, known as the Rashba spin orbit field and the spin Hall spin torque, have been reported to be responsible for the generation of the effective field. However, quantitative understanding of the effective field, including its direction with respect to the current flow, is lacking. Here we show vector measurements of the current induced effective field in Ta|CoFeB|MgO heterostructrure…
We study interfacial magnetocrystalline anisotropies in various Fe/semiconductor heterostructures by means of first-principles calculations. We find that many of those systems show perpendicular magnetic anisotropy (PMA) with a positive value of the interfacial anisotropy constant $K_{\rm i}$. In particular, the Fe/CuInSe$_2$ interface has a large $K_{\rm i}$ of $\sim 2.3\,{\rm mJ/m^2}$, which is about 1.6 times larger than that of Fe/MgO known as a typical system with relatively large PMA. We also find that the values of $K_{\rm i}$ in almost all the systems studied in this work follow the we…
We report the fabrication of perpendicular ferromagnetic electrodes for tunneling devices consist of van der Waals heterostructure. We found MgO/Co/Pt films on Hexagonal BN shows perpendicular magnetic anisotropy (PMA) with the easy axis perpendicular to the substrate. Vacuum annealing enhances the perpendicular anisotropy. The easy axis along the perpendicular direction persists up to room temperature with the Pt layer thickness ranges from 1.5 to 5 nm. We employed the PMA electrodes to construct tunneling devices on graphene and monolayer WSe2, where spin injection characteristics and field …
Spin-orbit torque in heavy metal/ferromagnet heterostructures with broken spatial inversion symmetry provides an efficient mechanism for manipulating magnetization using a charge current. Here, we report the presence of a spin torque in a single ferromagnetic layer in both asymmetric MgO/Fe0.8Mn0.2 and symmetric MgO/Fe0.8Mn0.2/MgO structures, which manifests itself in the form of an effective field transverse to the charge current. The current to effective field conversion efficiency, which is characterized using both the nonlinear magnetoresistance and second-order planar Hall effect methods,…
We study direct and indirect magnetoexcitons in Rydberg states in monolayers and heterostructures of transition-metal dichalcogenices (TMDCs) in an external magnetic field, applied perpendicular to the monolayer or heterostructures. We calculate binding energies of magnetoexcitons for the Rydberg states 1$s$, 2$s$, 3$s$, and 4$s$ by numerical integration of the Schrödinger equation using the Rytova-Keldysh potential for direct magnetoexcitons and both the Rytova-Keldysh and Coulomb potentials for indirect magnetoexcitons. Latter allows understanding the role of screening in TMDCs heterostructu…
We present a new fabrication method of graphene spin-valve devices which yields enhanced spin and charge transport properties by improving both the electrode-to-graphene and graphene-to-substrate interface. First, we prepare Co/MgO spin injection electrodes onto Si$^{++}$/SiO$_2$. Thereafter, we mechanically transfer a graphene-hBN heterostructure onto the prepatterned electrodes. We show that room temperature spin transport in single-, bi- and trilayer graphene devices exhibit nanosecond spin lifetimes with spin diffusion lengths reaching 10$μ$m combined with carrier mobilities exceeding 20,0…
We report on a theoretical study of electromagnetic properties of zigzag magnesium oxides nanoribbons (Z-MgONRs). We propose that the polar charges and the spin polarization are the two key factors for edge magnetism. Based on first-principle calculations, we demonstrate that both O- and Mg-edges are magnetic and their magnetic moments all can be efficiently modulated via external electric field.And the edge magnetism is further studied in the framework of effective tight-binding model, which provides a starting point for the calculation of one particle Green's function and the determination o…
We have calculated electronic and optical properties of Si/BeSe$_{0.41}$Te$_{0.59}$ heterostructures by a semiempirical $sp^{3}s^{*}$ tight-binding method. Tight-binding parameters and band bowing of BeSe$_{0.41}$Te$_{0.59}$ are considered through a recent model for highly mismatched semiconductor alloys. The band bowing and the measurements of conduction band offset lead to a type II heterostucture for Si/BeSe$_{0.41}$Te$_{0.59}$ with conduction band minimum in the Si layer and valence band maximum in the BeSe$_{0.41}$Te$_{0.59}$ layer. The electronic structure and optical properties of vario…
We study the properties of flat-bands that appear in a heterostructure composed of strands of different widths of graphene armchair nanoribbons. One of the flat-bands is reminiscent of the one that appears in pristine armchair nanoribbons and has its origin in a quantum mechanical destructive interference effect, dubbed `Wannier orbital states' by Lin et al. in Phys. Rev. B 79, 035405 (2009). The additional flat-bands found in these heterostructures, some reasonably closer to the Fermi level, seem to be generated by a similar interference process. After doing a thorough tight-binding analysis …
Indirect excitons (IX) in semiconductor heterostructures are bosons, which can cool below the temperature of quantum degeneracy and can be effectively controlled by voltage and light. IX quantum Bose gases and IX devices were explored in GaAs heterostructures where an IX range of existence is limited to low temperatures due to low IX binding energies. IXs in van der Waals transition-metal dichalcogenide (TMD) heterostructures are characterized by large binding energies giving the opportunity for exploring excitonic quantum gases and for creating excitonic devices at high temperatures. TMD hete…
We study direct and indirect excitons in Rydberg states in phosphorene monolayers, bilayer and van der Waals (vdW) heterostructure in an external magnetic field, applied perpendicular to the monolayer or heterostructure within the framework of the effective mass approximation. Binding energies of magnetoexcitons are calculated by a numerical integration of the Schrodinger equation using the Rytova-Keldysh potential for direct magnetoexcitons and both the Rytova-Keldysh and Coulomb potentials for indirect one. The latter allows to understand the role of screening in phosphorene. We report the m…
In this review we discuss spin and charge transport properties in graphene-based single-layer and few-layer spin-valve devices. We give an overview of challenges and recent advances in the field of device fabrication and discuss two of our fabrication methods in more detail which result in distinctly different device performances. In the first class of devices, Co/MgO electrodes are directly deposited onto graphene which results in rough MgO-to-Co interfaces and favor the formation of conducting pinholes throughout the MgO layer. We show that the contact resistance area product (R$_c$A) is a b…
In the present work we propose that a one-dimensional quantum heterostructure composed of magnetic and non-magnetic atomic sites can be utilized as a spin filter for a wide range of applied bias voltage. A simple tight-binding framework is given to describe the conducting junction where the heterostructure is coupled to two semi-infinite one-dimensional non-magnetic electrodes. Based on transfer matrix method all the calculations are performed numerically which describe two-terminal spin dependent transmission probability along with junction current through the wire. Our detailed analysis may …
It is crucial that magnetic memory devices formed from magnetic heterostructures possess sizable spin-orbit torque (SOT) efficiency and high thermal stability to realize both efficient SOT control and robust storage of such memory devices. However, most previous studies on various types of magnetic heterostructures have focused on only their SOT efficiencies, whereas the thermal stabilities therein have been largely ignored. In this work, we study the temperature-dependent SOT and stability properties of two types of W-based heterostructures, namely W/CoFeB/MgO (standard) and CoFeB/W/CoFeB/MgO…
Antiferromagnets (AFMs) with zero net magnetization are proposed as active elements in future spintronic devices. Depending on the critical thickness of the AFM thin films and the measurement temperature, bimetallic Mn-based alloys and transition metal oxide-based AFMs can host various coexisting ordered, disordered, and frustrated AFM phases. Such coexisting phases in the exchange coupled ferromagnetic (FM)/AFM-based heterostructures can result in unusual magnetic and magnetotransport phenomena. Here, we integrate chemically disordered AFM IrMn3 thin films with coexisting AFM phases into comp…
Here we introduce a numerical method for computing conductivity via the Kubo Formula for incommensurate 2D bilayer heterostructures using a tight-binding framework. We begin with deriving the momentum space formulation and Kubo Formula from the real space tight-binding model using the appropriate Bloch transformation operator. We further discuss the resulting algorithm along with its convergence rate and computation cost in terms of parameters such as relaxation time and temperature. In particular, we show that for low frequencies, low temperature, and long relaxation times conductivity can be…
A method to calculate the effective spin Hamiltonian for a transition metal impurity in a non- magnetic insulating host is presented and applied to the paradigmatic case of Fe in MgO. In a first step we calculate the electronic structure employing standard density functional theory (DFT), based on generalized-gradient approximation (GGA), using plane waves as a basis set. The corresponding basis of atomic-like maximally localized Wannier functions is derived and used to represent the DFT Hamiltonian, resulting in a tight-binding model for the atomic orbitals of the magnetic impurity. The third…
Exciton binding energies of hundreds of meV and strong light absorption in the optical frequency range make transition metal dichalcogenides (TMDs) promising for novel optoelectronic nanodevices. In particular, atomically thin TMDs can be stacked to heterostructures enabling the design of new materials with tailored properties. The strong Coulomb interaction gives rise to interlayer excitons, where electrons and holes are spatially separated in different layers. In this work, we reveal the microscopic processes behind the formation, thermalization and decay of these fundamentally interesting a…
Starting from the single-particle Dirac Hamiltonian for charge carriers in monolayer transition metal dichalcogenides (TMDs), we construct a four-band Hamiltonian describing interlayer excitons consisting of an electron in one TMD layer and a hole in the other TMD layer. An expression for the electron-hole interaction potential is derived, taking into account the effect of the dielectric environment above, below, and between the two TMD layers as well as polarization effects in the transition metal layer and in the chalcogen layers of the TMD layers. We calculate the interlayer exciton binding…
The role of defects in van der Waals heterostructures made of graphene and hexagonal boron nitride (h-BN) is studied by a combination of ab initio and model calculations. Despite the weak van der Waals interaction between layers, defects residing in h-BN, such as carbon impurities and antisite defects, reveal a hybridization with graphene p$_{\rm z}$ states, leading to midgap state formation. The induced midgap states modify the transport properties of graphene and can be reproduced by means of a simple effective tight-binding model. In contrast to carbon defects, it is found that oxygen defec…
The self-trapped state (STS) of interlayer exciton (IX) has been aroused enormous interesting owing to their significant impact on the fundamental properties of the van derWaals heterostructures (vdWHs). Nevertheless, the microscopic mechanisms of STS are still controversial. Herein, we study the corrections of the binding energies of the IXs due to the exciton-interface optical phonon coupling in four kinds of vdWHs and find that these IXs are in the STS for the appropriate ratio of the electron and hole effective masses. We show that these STSs could be classified into the type I with the in…
Many commonly used nearest neighbor tight binding models for cubic semiconductors often result in inaccurate band structures when transferred to hexagonal polytypes. The resulting bandgaps are systematically too small, and in some cases calculations may erroneously predict a metal for the wurtzite polytype. We have calculated a set of $\rm spds^*$ tight binding parameters for the hexagonal phases of non-nitride III-V and group V semiconductors fit to experimental data and empirical pseudopotential calculations. Our fitting procedure constrains the parameters to be as close as possible to those…
We have performed angle-resolved photoemission spectroscopy on a heterostructure consisting of topological insulator Bi2Te3 and iron chalcogenide FeTe fabricated on SrTiO3 substrate by molecular-beam-epitaxy technique. This system was recently found to show superconductivity albeit non-superconducting nature of each constituent material. Upon interfacing FeTe with two quintuple layers of Bi2Te3, we found that the Dirac-cone surface state of Bi2Te3 is shifted toward higher binding energy, while the holelike band at the Fermi level originating from FeTe moves toward lower binding energy. This su…
We study the electronic and transport properties of heterostructures formed by armchair graphene nanoribbons with intersections of finite length. We describe the system by a tight-binding model and calculate the density of states and the conductance within the Green's function formalism based on real-space renormalization techniques. We show the apparition of interface states and bound states in the continuum which present a strong dependence of the heterostructure geometry. We investigate the effects on the conductance of an external perturbation applied on the edges atoms of the intersection…
We discuss neutral and charged complexes (biexciton and trion) formed by indirect excitons in layered quasi-two-dimensional semiconductor heterostructures. Indirect excitons -- long-lived neutral Coulomb-bound pairs of electrons and holes of different layers -- have been known for semiconductor coupled quantum wells and are recently reported for van der Waals heterostructures such as bilayer graphene and transition metal dichalcogenides. Using the configuration space approach, we derive the analytical expressions for the trion and biexciton binding energies as functions of the interlayer dista…
We explore the possibility of inducing in heterostructures driven by an ac gate voltage the coherent current suppression recently found for nanoscale conductors in oscillating fields. The destruction of current is fairly independent of the transport voltage, but can be controlled by the driving amplitude and frequency. Within a tight-binding approximation, we obtain analytical results for the average current in the presence of driving. These results are compared against an exact numerical treatment based on a transfer-matrix approach.
The conductance of bulk metal--insulator--metal junctions is evaluated by the Landauer formula using an \textit{ab initio} electronic structure calculated using a plane-waves basis set within density-functional theory (DFT) and beyond, i.e.\ including exact non-local exchange using hybrid functional (HSE) or many-body $G_0W_0$ and COHSEX quasiparticle (QP) schemes. We consider an Ag/MgO/Ag heterostructure model and we focus on the evolution of the zero-bias conductance as a function of the MgO film thickness. Our study shows that the correction of the electronic structure beyond semi-local den…
In this work, we discuss the nature of Dzyaloshinskii-Moriya interaction (DMI) in transition metal heterostructures. We first derive the expression of DMI in the small spatial gradient limit using Keldysh formalism. This derivation provides us with a Green's function formula that is well adapted to tight-binding Hamiltonians. With this tool, we first uncover the role of orbital mixing: using both a toy model and a realistic multi-orbital Hamiltonian representing transition metal heterostructures, we show that symmetry breaking enables the onset of interfacial orbital momentum that is at the or…
Spin valves consisting of heterostructures of single-layer hexagonal crystal on an antiferromagnetic substrate or of bilayer hexagonal crystal intercalated between two (anti)ferromagnetic insulators, with the current-in-plane geometry, are proposed. The two-dimensional hexagonal crystals such as graphene, silicene, germanene, and stanene are modeled by the tight binding model of honeycomb lattice. The magnetization orientation of the antiferromagnetic substrate(s) controls the band gap and topological properties of bulk, which in turn control the transport of three types of spin valve geometri…
We investigate excitons in stacked transition metal dichalcogenide (TMDC) layers under perpendicularly applied electric field, herein MoSe$_2$/WSe$_2$ van der Waals heterostructures. Band structures are obtained with density functional theory calculations, along with the electron and hole wave functions in conduction and valence bands, respectively. Although the type-II nature of the heterostructure leads to fully charge separated inter-layer excitons, charge carriers distribution among the layers is shown to be easily tunable by external field. Our results show that moderate values of electri…
Twisted bilayer graphene (TBG) has taken the spotlight in the condensed matter community since the discovery of correlated phases at the so-called magic angle. Interestingly, the role of a substrate on the electronic properties of TBG has not been completely elucidated. Up to now, most of the theoretical works carried out in order to understand this effect have been done using continuum models. In this work, we have gone one step ahead and have studied heterostructures of TBG and hBN using an atomistic tight-binding model together with semi-classical molecular dynamics to take into account rel…
The effect of eccentricity distortions of core-multishell quantum wires on their electron, hole and exciton states is theoretically investigated. Within the effective mass approximation, the Schrodinger equation is numerically solved for electrons and holes in systems with single and double radial heterostructures, and the exciton binding energy is calculated by means of a variational approach. We show that the energy spectrum of a core-multishell heterostructure with eccentricity distortions, as well as its magnetic field dependence, are very sensitive to the direction of an externally applie…
Electronic and transport properties of bilayer heterostructure under light irradiation are of fundamental interest to improve functionality of optoelectronic devices. We theoretically study the modification of transport properties of bilayer graphene and bilayer heterostructures under a time-periodic external light field. The bulk electronic and transport properties are studied in a Landauer-type configuration by using the nonequilibrium Green's function formalism. To illustrate the behavior of the differential conductance of a bilayer contact under light illumination, we consider tight-bindin…
Enhancing the spin-orbit interaction in graphene, via proximity effects with topological insulators, could create a novel 2D system that combines nontrivial spin textures with high electron mobility. In order to engineer practical spintronics applications with such graphene/topological insulator (Gr/TI) heterostructures, an understanding of the hybrid spin-dependent properties is essential. {However to date, despite the large number of experimental studies on Gr/TI heterostructures reporting a great variety of remarkable (spin) transport phenomena, little is known about the true nature of the …
The electronic structure of bulk fcc GaAs, fcc and tetragonal CrAs, and CrAs/GaAs supercells, computed within LMTO local spin-density functional theory, is used to extract the band alignment (band offset) for the [1,0,0] GaAs/CrAs interface in dependence of the spin orientation. With the lateral lattice constant fixed to the experimental bulk GaAs value, a local energy minimum is found for a tetragonal CrAs unit cell with a slightly ($\approx$ 2%) reduced longitudinal ([1,0,0]) lattice constant. Due to the identified spin-dependent band alignment, half-metallicity of CrAs no longer is a key re…
