Study Of Electron Transport Research Articles

Electron transport in quasi-ballistic FETs subjected to a magnetic field

We report the study of quasi-ballistic electron transport in short FETs subjected to magnetic field. Spatial distributions of electron concentrations, velocities, Hall currents, and voltages in the short FET channels are determined. The basic properties of current–voltage characteristics of quasi-ballistic FETs in magnetic field are analyzed, among them the kink-like characteristics of the near-ballistic device. Peculiarities of magnetoresistance of such FETs are studied for low and high magnetic fields and different current regimes. For nonlinear current regimes, we revealed significantly larger magnetoresistance for the devices with higher ballisticity. Numerical estimates of studied effects are presented. We suggest that the found results contribute to the physics of short FETs and can be used for developing nanoscale devices for particular applications.

Interface Dependent Coexistence of Two‐Dimensional Electron and Hole Gases in Mn‐doped InAs/GaSb

AbstractThe interface of common III‐V semiconductors InAs and GaSb can be utilized to realize a two‐dimensional (2D) topological insulator state. The 2D electronic gas at this interface can yield Hall quantization from coexisting electrons and holes. This anomaly is a determining factor in the fundamental origin of the topological state in InAs/GaSb. Here, the coexistence of electrons and holes in InAs/GaSb is tied to the chemical sharpness of the interface. Magnetotransport, in samples of Mn‐doped InAs/GaSb cleaved from wafers grown at a spatially inhomogeneous substrate temperature, is studied. It is reported that the observation of quantum oscillations and a quantized Hall effect whose behavior, exhibiting coexisting electrons and holes, is tuned by this spatial nonuniformity. Through transmission electron microscopy measurements, it is additionally found that samples that host this co‐existence exhibit a chemical intermixing between group III and group V atoms that extends over a larger thickness about the interface. The issue of intermixing at the interface is systematically overlooked in electronic transport studies of topological InAs/GaSb. These findings address this gap in knowledge and shed important light on the origin of the anomalous behavior of quantum oscillations seen in this 2D topological insulator.

Optimization of electron transmission on a 1D lattice

Finding optimal multi-layer heterostructure configurations that result in desired current–voltage characteristics requires physical control of electron scattering processes. It is shown how a one-dimensional tight-binding Hamiltonian combined with the adjoint method may be employed to explore this non-convex and non-intuitive design space. Such optimal parameter exploration has application to study of vertical electron transport through van der Waals stacked few-layer quantum materials and nano-scale single-crystal semiconductor heterostructures.

(Invited) Phase Engineering for Enhanced Stability of Perovskite Nanowire Optoelectronics

The crystallization of halide perovskites (HPs) into one-dimensional structures has generated considerable research interest for their promising prospects in studying electron transport characteristics and multifunctional nanoscale devices. Various strategies have been developed to achieve in-plane growth of one-dimensional (1D) structures, including epitaxy, capillary-bridge-manipulated graphoepitaxy, and van der Waals epitaxy. Typically, the VLS growth mode, which involves the initial seeding of metallic catalytic nanoparticles to facilitate the process, has realized the out-of-plane and bottom-up synthesis route, opening up a new pathway for the one-dimensional perovskite electronics and optoelectronics.Among many recent advances, Zinc (Zn) has become a significant suppressor of vacancy formation in halide perovskites, establishing its pivotal role in defect engineering for these materials. Herein, we report the Zn-catalyzed vapor-liquid-solid (VLS) route to render black-phase CsPbI3 nanowires operationally stable at room temperature. Based on first-principle calculations, the doped Zn2+ can not only lead to the partial crystal lattice distortion but also reduce the formation energy value from the black phase to the yellow phase, improving the stability of the desired black phase. A series of contrast tests further confirm the stabilization effect of the Zn-doped strategy. Besides, the polarization-sensitive characteristics of black phase CsPbI3 nanowires were revealed. Our work highlights the importance of phase stabilization engineering for CsPbI3 nanowires and their potential applications in anisotropic optoelectronics.

Investigation of numerical transport models in protein-based molecular junctions with cofactors of diverse chemical natures

The cofactors of proteins dictate the charge transport mechanism across molecular junctions when self-assembled protein monolayers are sandwiched between two metal electrodes. Here, we summarized how the chemical coordination nature of cofactors in various proteins modulates electrical conductance by investigating electronic transport studies across different protein-based molecular junctions under various forces applied under the AFM tip. We have utilized several numerical techniques of electronic transport to analyse the experimentally obtained current–voltage measurements across various protein-based molecular junctions and depicted the origin of electronic modulation in the electrical conductance under different external stimuli. We could also find the origin of electronic conductance modulation under external stimuli at various applied forces by obtaining several analytical transport parameters such as energy barrier, coupling strength, and electrical conductance values. Utilizing density-functional-theory calculations, we further validate that the electronic density of states present in the cofactors within the proteins dominates the electronic transport behaviours across protein-based molecular junctions. Our findings reveal the limiting factor for applying various external stimuli on different proteins, which could be further valuable in bioelectronic applications. We have also found that the organic cofactor containing protein follows all the tunneling mechanism-related numerical transport models and the electronic transport across proteins with pure inorganic cofactors follows Landauer transport formalism.

Comparative study of photo-induced electronic transport along ferroelectric domain walls in lithium niobate single crystals

Ferroelectric domain wall conductivity (DWC) is an intriguing and promising functional property that can be elegantly controlled and steered through a variety of external stimuli such as electric and mechanical fields. Optical-field control, as a noninvasive and flexible tool, has rarely been applied so far, but it significantly expands the possibility for both tuning and probing DWC. On the one hand, as known from second-harmonic or Raman micro-spectroscopy, the optical approach provides information on DW distribution and inclination, while simultaneously probing the DW vibrational modes; on the other hand, photons might be applied to directly generate charge carriers, thereby acting as a functional and spectrally tunable probe to deduce the local absorption properties and bandgaps of conductive DWs. Here, we report on investigating the photo-induced DWC (PI-DWC) of three lithium niobate crystals, containing a very different number of DWs, namely: (A) none, (B) one, and (C) many conductive DWs. All three samples are inspected for their current–voltage behavior in darkness and for different illumination wavelengths swept from 500 nm down to 310 nm. All samples show their maximum PI-DWC at 310 nm; moreover, sample (C) reaches PI-DWCs of several microampere. Interestingly, a noticeable PI-DWC is also observed for sub-bandgap illumination, hinting toward the existence and decisive role of electronic in-gap states that contribute to the electronic charge transport along DWs. Finally, complementary conductive atomic force microscopy investigations under illumination proved that the PI-DWC indeed is confined to the DW area and does not originate from photo-induced bulk conductivity.

Long-Range Gating in Single-Molecule One-Dimensional Topological Insulators.

Single-molecule one-dimensional topological insulator (1D TI) is a class of molecular wires that exhibit increasing conductance with wire length. This unique trend is due to the coupling between the two low-lying topological edge states of 1D TIs described by the Su-Schrieffer-Heeger model. In principle, this quantum phenomenon within 1D TIs can be utilized to achieve long-range gating in molecular conductors. Here, we study electron transport through a single-edge state of doubly oxidized oligophenylene bis(triarylamine) to understand the effect of the edge state coupling on conductance. We find that conductance is elevated by approximately 1 order of magnitude compared to a control molecule with the same conductance pathway. Density function theory calculations further support that the increase in conductance is due to the interaction between the edge states of 1D TIs. This work demonstrates a new gating paradigm in molecular electronics, while also providing a deeper understanding of how edge states interact and affect electron transport within 1D TIs.

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.

First principles study of electronic structure and transport in graphene grain boundaries

Grain boundaries play a major role for electron transport in graphene sheets grown by chemical vapor deposition. Here we investigate the electronic structure and transport properties of idealized graphene grain boundaries (GBs) in bi-crystals using first principles density functional theory (DFT) and non-equilibrium Greens functions. We generated 150 different grain boundaries using an automated workflow where their geometry is relaxed with DFT. We find that the GBs generally show a quasi-1D bandstructure along the GB. We group the GBs in four classes based on their conductive properties: transparent, opaque, insulating, and spin-polarizing and show how this is related to angular mismatch, quantum mechanical interference, and out-of-plane buckling. Especially, we find that spin-polarization in the GB correlates with out-of-plane buckling. We further investigate the characteristics of these classes in simulated scanning tunnelling spectroscopy and diffusive transport along the GB which demonstrate how current can be guided along the GB.

A computational study of electron transport in dynamic tetrahydrofuran and ethylene carbonate solvents on a Ca metal anode.

Calcium-ion batteries offer many advantages to the current lithium-ion technology in terms of cost, sourcing materials, and potential for higher energy density. However, calcium-ion batteries suffer from lack of a stable electrolyte due to reduction from the anode. Building off of our recent work investigating the stability of two representative electrolyte solvents, tetrahydrofuran (THF) and ethylene carbonate (EC), we now use ab initio molecular dynamics (AIMD) and the non-equilibrium Green's function technique in conjunction with density functional theory (NEGF-DFT) to investigate charge transport as the solvent molecules dynamically interact with the anode surface. THF maintained a relatively consistent conductance throughout the trajectory, although some jumps in the conductance were attributed to THF molecular rearrangement. EC exhibited a large amount of molecular decomposition, and a corresponding decrease in conductance of several orders of magnitude was noted. Through this analysis, we show that molecular decomposition and early-stage solid-electrolyte interphase (SEI) formation plays a major role in the robustness of charge transport as the system evolves in time and with temperature.

A Modeling Study of Electron Transport in GaN/AlGaN Superlattices Using Monte Carlo Simulation

Electron transport in superlattices (SLs) is analyzed using a single‐particle Monte Carlo (MC) method. This study includes the band structure of GaN, AlN, and their alloys, utilizing a single‐electron MC approach and a three‐band model. It explores how intervalley (IV) and electron–polar longitudinal optical phonon (PLOP) scatterings influence electron velocity. A single non‐parabolic band approximation is effectively used in SL modeling, as the miniband's energy width limits electron kinetic energy, reducing IV scattering. The energy band structure of the SL is calculated using the Schrödinger equation and a Poisson solver, incorporating a single‐band model to determine the Fermi energy and characteristics of the SL miniband. Miniband dispersion is evaluated using an effective mass approximation at low energies and a non‐parabolicity factor at higher energies. The MC method is then applied to study electron transport within the miniband, revealing that for SLs with low Al content and short periods, electron behavior resembles that in bulk GaN. It is observed that negative differential mobility can occur, attributed to electron–PLOP scattering and non‐parabolicity. This approach offers a quick and effective way to research high‐field electron transport in n‐doped SLs, aiding in device design.

Single Crystal Growth and Nano-Structure Study in a Topological Dirac Metal, CoTe2-δ

A single crystal of a topological material, CoTe2-δ, has been grown via the chemical vapor transport method for a structural and electronic transport study. Single-crystal X-ray diffraction, powder X-ray diffraction, and high-resolution scanning electron microscope measurements confirm the high quality of the as-grown single crystals. In a high-resolution scanning electron microscopy study, a clear layered feature of the trigonal CoTe2-δ crystal was observed. Fractal features and mosaic-type nanostructures were observed on the as-grown surface and cleaved surface, respectively. The trigonal CoTe2-δ demonstrates a metallic ground state in transport measurements, with a typical carrier’s concentration in a 1021 cm−3 magnitude and a residual resistivity ratio of 1.6. Below 10 K, trigonal CoTe2-δ contains quite complicated magnetoresistance behavior as a result of the competing effect between Dirac states and possible spin fluctuations.

Вадим Євгенович Лашкарьов: багатогранний талант науковця і особистість

On 7 October 2023, the scientific community celebrated the 120th anniversary of the birth of Vadym Yevhenovych Lashkariov, a physicist, discoverer of the p-n junction, teacher, organiser of science, and simply a smart and decent person (07.10.2003 - 01.12.1974). In our opinion, the significance and influence of V.E. Lashkarev on the further development of physics, in particular semiconductor physics in Ukraine, has not been sufficiently revealed, although a number of articles have been published over the past decades on the life and scientific work of Vadym Yevhenovych. This article aims to look at the scientific work of Vadym Yevhenovych in the light of the newly emerging field of optoelectronics. The article shows some new aspects of the life and work of Academician of the National Academy of Sciences of Ukraine Vadym Yevhenovych Lashkariov, which are based on documents signed by him personally. Despite the blows of fate: exile and the Second World War, Vadym Yevhenovych retained his scientific inspiration and a far-sighted vision of the development of a new scientific field - semiconductor physics. The directions of the V. Lashkarev scientific school of semiconductor physics are analysed in details: studies of generation-recombination processes and electronic transport in semiconductors and semiconductor structures; theoretical and experimental studies of surface phenomena in semiconductors; theoretical and experimental studies of electronic transfer of two- dimensional free charge carriers in semiconductor nanostructures; studies of electrophysical and photoelectric effects in semiconductors and layered structures. Some examples of monographs and articles by students and followers of the V. Lashkarev scientific school, who developed the initial scientific fields and modernised the physics of semiconductors, are given.

Efficient Electron Hopping Transport through Azurin-Based Junctions.

We conducted a theoretical study of electron transport through junctions of the blue-copper azurin from Pseudomonas aeruginosa. We found that single-site hopping can lead to either higher or lower current values compared to fully coherent transport. This depends on the structural details of the junctions as well as the alignment of the protein orbitals. Moreover, we show how the asymmetry of the IV curves can be affected by the position of the tip in the junction and that, under specific conditions, such a hopping mechanism is consistent with a fairly low temperature dependence of the current. Finally, we show that increasing the number of hopping sites leads to higher hopping currents. Our findings, from fully quantum calculations, provide deep insight to help guide the interpretation of experimental IV curves on highly complex systems.

Electron Impact Cross Sections and Transport Studies of C3F6O

Electron impact scattering from C3F6O is studied in this work. The R-matrix method was used for the calculations of elastic, momentum transfer, and excitation cross sections. The attachment cross section was obtained through a parametric estimator based on the R-matrix outputs. The Binary-Encounter-Bethe (BEB) method was used for computing the ionization cross section. The obtained cross section set was used for the transport studies using the BOLSIG+ code, which is a two-term Boltzmann equation solver. The present calculation was performed for steady-state Townsend experimental conditions for E/N, covering a range of 100–1000 Td. The critical dielectric strength of pure C3F6O was found to be 475 Td, which is much greater than that of SF6 (355 Td). The effect of the addition of different buffer gases, such as CO2, N2, and O2, was also examined. For the C3F6O–CO2, C3F6O–N2, and C3F6O–O2 mixtures with 65%, 55%, and 60% C3F6O, respectively, the critical dielectric strength was determined to be essentially the same as that of pure SF6. The presence of synergism was confirmed for these gas mixtures. We further derived the Paschen curve using a fitting method with the transport parameters as the basic inputs. The minimum breakdown voltage of C3F6O accounted for only 55% of that of SF6. The buffer gas mixture improved the condition; however, the performance of CO2 and O2 mixtures was not satisfactory. The addition of N2 as the buffer gas significantly improved the breakdown property of the gas. The mixture of ≥99% of N2 or ≤1% of C3F6O gave a better breakdown characteristic than SF6. Any proportion ≥90% of N2 or ≤10% of C3F6O was suitable in the higher pressure ranges. The present work demonstrates the potential of C3F6O as a substitute gas for SF6 with a negligible environmental threat.

Magnetic States and Electronic Properties of Manganese-Based Intermetallic Compounds Mn2YAl and Mn3Z (Y = V, Cr, Fe, Co, Ni; Z = Al, Ge, Sn, Si, Pt).

We present a brief review of experimental and theoretical papers on studies of electron transport and magnetic properties in manganese-based compounds Mn2YZ and Mn3Z (Y = V, Cr, Fe, Co, Ni, etc.; Z = Al, Ge, Sn, Si, Pt, etc.). It has been shown that in the electronic subsystem of Mn2YZ compounds, the states of a half-metallic ferromagnet and a spin gapless semiconductor can arise with the realization of various magnetic states, such as a ferromagnet, a compensated ferrimagnet, and a frustrated antiferromagnet. Binary compounds of Mn3Z have the properties of a half-metallic ferromagnet and a topological semimetal with a large anomalous Hall effect, spin Hall effect, spin Nernst effect, and thermal Hall effect. Their magnetic states are also very diverse: from a ferrimagnet and an antiferromagnet to a compensated ferrimagnet and a frustrated antiferromagnet, as well as an antiferromagnet with a kagome-type lattice. It has been demonstrated that the electronic and magnetic properties of such materials are very sensitive to external influences (temperature, magnetic field, external pressure), as well as the processing method (cast, rapidly quenched, nanostructured, etc.). Knowledge of the regularities in the behavior of the electronic and magnetic characteristics of Mn2YAl and Mn3Z compounds can be used for applications in micro- and nanoelectronics and spintronics.

Gyrokinetic simulations of neoclassical electron transport and bootstrap current generation in tokamak plasmas in the TRIMEG code

For magnetic confinement fusion in tokamak plasmas, some of the limitations to the particle and energy confinement times are caused by turbulence and collisions between particles in toroidal geometry, which determine the “anomalous” and the neoclassical transport, respectively. Neoclassical effects are also responsible for the intrinsically generated bootstrap current, and only the self-consistent modeling of neoclassical and turbulent processes can ultimately give accurate predictive results. In this work, we focus on the implementation of neoclassical physics in the gyrokinetic code TRIMEG, which is a TRIangular MEsh-based Gyrokinetic code that can handle both the closed and open field line geometries of a divertor tokamak. We report on the implementation of a simplified Lorentz collision operator in TRIMEG. For comparison with neoclassical theory, the calculation of flux surface averages is necessary. Since the code uses an unstructured mesh, a procedure for calculating the flux surface averages of particle and energy fluxes and the bootstrap current is derived without relying on the poloidal coordinate, which is useful also for other simulations in unstructured meshes. With the newly implemented collision operator, we study electron transport and bootstrap current generation in a plasma with a finite density gradient but uniform temperature for various simplified and realistic geometries. Compared with neoclassical theory, good agreement is obtained for the large aspect ratio case regarding the particle and energy fluxes as well as the bootstrap current. However, some discrepancies are observed at moderate aspect ratio and for a case with the realistic geometry of the ASDEX Upgrade tokamak. These deviations can be explained by different treatments and approximations in theory and simulation. In this paper, we demonstrate the capability to calculate the electron transport and bootstrap current generation in TRIMEG, which will allow for the self-consistent inclusion of neoclassical effects in gyrokinetic simulations in the future.

Surface conductivity in SmB6

We present a study of low temperature electron transport (resistivity, magnetoresistance and Hall coefficient) in SmB6 single crystals having different polar (100) and nonpolar (110) and (111) surfaces after mechanical polishing and chemical etching. The estimation of effective parameters for surface and bulk charge carriers allows us to conclude that surface conductivity is very sensitive to the method of surface treatment. The most pronounced change is observed for the polar (100) surface, for which the related Hall concentration of charge carriers at 2 K decreases more than by 2 orders of magnitude and the Hall mobility increases by a factor of 15 after etching these faces in diluted nitric acid. We suggest that the strong dependence of surface properties on the type of treatment may result from both topological protection, which is influenced by intrinsic defects or surface reconstruction, and band bending effects, which modulate the properties of the surface conduction layer in case of polar faces.

Contribution of Processes in SN Electrodes to the Transport Properties of SN-N-NS Josephson Junctions.

In this paper, we present a theoretical study of electronic transport in planar Josephson Superconductor-Normal Metal-Superconductor (SN-N-NS) bridges with arbitrary transparency of the SN interfaces. We formulate and solve the two-dimensional problem of finding the spatial distribution of the supercurrent in the SN electrodes. This allows us to determine the scale of the weak coupling region in the SN-N-NS bridges, i.e., to describe this structure as a serial connection between the Josephson contact and the linear inductance of the current-carrying electrodes. We show that the presence of a two-dimensional spatial current distribution in the SN electrodes leads to a modification of the current-phase relation and the critical current magnitude of the bridges. In particular, the critical current decreases as the overlap area of the SN parts of the electrodes decreases. We show that this is accompanied by a transformation of the SN-N-NS structure from an SNS-type weak link to a double-barrier SINIS contact. In addition, we find the range of interface transparency in order to optimise device performance. The features we have discovered should have a significant impact on the operation of small-scale superconducting electronic devices, and should be taken into account in their design.

Macroscopic Quantum Tunneling of a Topological Ferromagnet.

The recent advent of topological states of matter spawned many significant discoveries. The quantum anomalous Hall (QAH) effectis a prime example due to its potential for applications in quantum metrology, as well as its influence on fundamental research into the underlying topological and magnetic states and into axion electrodynamics. Here, electronic transport studies on a (V,Bi,Sb)2 Te3 ferromagnetic topological insulator nanostructure in the QAH regime are presented. This allows access to the dynamics of an individual ferromagnetic domain. The domain size is estimated to be in the 50-100 nm range. Telegraph noise resulting from the magnetization fluctuations of this domain is observed in the Hall signal. Careful analysis of the influence of temperature and external magnetic field on the domain switching statistics provides evidence for quantum tunneling (QT) of magnetization in a macrospin state. This ferromagnetic macrospin is not only the largest magnetic object in which QT is observed, but also the first observation of the effect in a topological state ofmatter.