Junction Characteristics Research Articles

The effect of the oxygen dangling on the thermoelectric properties of organic Thienoisoindigo single-molecule junction.

Theoretical investigation for thermoelectric characteristics of organic Thienoisoindigo single-molecule is carried out using the first-principles calculations based on the density functional theory. It reveals that modifying the position or removing oxygen atoms significantly alters the thermoelectric properties. Transmission coefficient calculations show that the lowest unoccupied molecular orbital (LUMO) dominates across all molecular configurations. Repositioning oxygen atoms increases the bandgap from 1.14 to 1.53 eV, while the complete removal of oxygen further increases to 1.8 eV. This change leads to the disruption of constructive quantum interference, which is replaced by destructive one. The electrical conductance is similarly affected by changes in oxygen atom positioning, with values shifting from 1.06 to 1.63. Molecules without oxygen atoms exhibit lower conductance compared to those with dangling oxygen, resulting in reduced semiconductor-like behavior and enhanced insulating properties. The Seebeck coefficient remains stable at 2.99 V/K when oxygen atoms are repositioned. However, the removal of one oxygen atom changes the coefficient to a positive value (290.14 V/K), causing the molecule to transition from n-type to p-type behavior. The complete absence of oxygen atoms returns the Seebeck coefficient to a negative value ( 256.08 V/K), switching the molecule back to n-type conduction. This investigation was achieved by applying the SIESTA software through density functional theory (DFT) computations. To account for exchange and correlation effects, we use a double-zeta polarized (DZP) basis set in conjunction with the generalized gradient approximation (GGA-PBE) to determine the ideal ground-state atomic locations. By combining the Hamiltonian of each system with the quantum transport code GOLLUM, we can calculate the transmission coefficient, projected density of states, electrical conductance, and Seebeck coefficient to examine the thermoelectric characteristics of the molecular junction.

Thermally stable Bi2Te3/WSe2 Van Der Waals contacts for pMOSFETs application

Novel van der Waals (vdW) contacts formed by layered Bi2Te3 are found effective in improving the performance of WSe2 pMOSFETs. As compared with conventional transition metal-based Ni/Au S/D contacts, over 103 times on-state current improvement is achieved. vdW interface formation between Bi2Te3 and WSe2 is confirmed by X-ray diffraction analysis and scanning transmission electron microscope observation. An atomically flat Bi2Te3/WSe2 vdW interface, where the number of defects could be reduced as small as possible, contributes to the suppression of Fermi-level pinning caused by defect-induced gap states. Moreover, the semimetal-like characteristics of Bi2Te3 are also effective in minimizing the impact of metal-induced gap states. These features offer WSe2 pMOSFETs with exceptional S/D junction characteristics, including suppressed off-state leakage and a higher on–off ratio. In addition, it is found that WSe2 pMOSFETs with Bi2Te3 S/D contacts have excellent thermal stability, maintaining device performance even after 400 °C annealing, which is very promising for CMOS back-end-of-line application. The layered tellurides, reconciling low contact resistance and high thermal stability, are promising, particularly from the perspective of their application in the manufacturing process.

Dissipation in quantum tunnel junctions

Based on experimental data, we propose a model to evaluate the energy dissipated during quantum tunneling processes in solid-state junctions. This model incorporates a nonlinear friction force expressed in the general form f(x)=γv(x)α, where γ is the frictional coefficient, which is fitted to data. We study this by applying voltages just below the barrier height up to near breakdown voltages. Furthermore, by lowering the temperature and adjusting the applied voltage to the junction, the effect on dissipation caused by the variation in barrier height is examined. We underline that the crucial dependency of dissipation on the fraction of particle energy lost is modulated by two primary mechanisms: the application of voltage and the variation of temperature. The fraction of energy dissipated decreases, in general, for increasing energies of the tunneling particles at a given temperature. However, for a given energy of the tunneling particle, the present work demonstrates a turning point at a temperature of 137 K, after which the dissipated energy starts increasing for higher temperatures. The latter can possibly be due to the increase of electron–phonon interactions, which become predominant over barrier height reduction at higher temperatures, and hence, we identify T = 137 K as a critical temperature for a change in the dissipative characteristics of the solid-state junction under consideration. Notably, the study also identifies significant changes in dissipation parameters, γ and α, above 137 K, exhibiting a linear decline and underscoring the importance of further research at higher temperatures.

Electric spaser constructed by mechanically-knitted microribbons

The advancement of developing spaser devices operated upon electrical pumping has attracted popular attentions, but suffering from several challenges including rational cavity configuration, nonradiative recombination loss, Joule heating, metallic loss and other aspects. Herein, we experimentally exhibit an electrically-driven spaser device, which is composed of one Ga-doped ZnO (ZnO:Ga) microribbon crossed with another Au nanoparticles-embedded ZnO:Ga (AuNPs@ZnO:Ga) microribbon that are linked through ballistic interconnects. The spaser emits at a wavelength of approximately 550 nm, which could be resulted from light amplification of the sandwiched AuNPs plasmons. Experimental investigation reveals that the AuNPs@ZnO:Ga⊗ZnO:Ga microribbon crossed structure exhibits quasi-Schottky junction characteristics, which allows to energetize the current passing through the crossed area, thus generating hot electrons. While, the smoothness surfaces of the ZnO:Ga microribbons, by combining with the sandwiched AuNPs, enable to construct plasmonic nanocavity (the crossed ZnO:Ga-AuNPs-ZnO:Ga structure). In which the light-emission can be plasmonically confined at the subwavelength scale with the cavity length dominated by the AuNPs semidiameter in average. As the voltages applied onto both the microribbons respectively reaching threshold, the strongly-confined hot electrons in the well-designed ZnO:Ga-AuNPs-ZnO:Ga structure allow the spasing action to be realized, which are plasmonically amplified by AuNPs plasmons. Our results provide an instructive guidance to the realization of plasmonic laser devices upon electrical excitation in future.

Intrinsic Josephson junction characteristics of Nd2-xCexCuO4 /SrTiO3 epitaxial films

The current-voltage (I-V) properties along the c axis on Nd2-xCexCuO4/SrTiO3 epitaxial films with x = 0.145, 0.15 were investigated. For all the samples it has been established that the I-V characteristics exhibit several resistive branches, which correspond to the resistive states of individual Josephson junctions. The results confirm the idea of a tunneling mechanism between the CuO2 layers (superconductor - insulator - superconductor junction) for the investigated Nd2-xCexCuO4 compound. The I-V dependence of this compound with x = 0.15 points out on the nonmonotonic nature of the d-wave or anisotropic s-wave symmetry order parameter associated with the coexistence of superconductivity and antiferromagnetic fluctuations.

Atom layer deposited TiO2 electron transport layer for silicon heterojunction solar cells to achieve high performance

Silicon/compound heterojunction (SCH) solar cells based on p-type and n-type c-Si wafers using atom layer deposition-TiO2 and low work function metal as the electron transport layer and rear electrode are fabricated. Efficiencies of 20.6 % and 21.6 % are achieved on p-type and n-type silicon solar cells, respectively. High Voc exceeding 700 mV have been realized on both kinds of Si wafers. Special attention has been paid to the SCH solar cells based on p-type c-Si wafers in which the TiO2 electron transport layer serves as the emitter. Carrier transport mechanisms and junction characteristics of the SCH solar cells are analyzed based on dark J-V measurement. The formation of a strong inversion layer at the Si surface region is determined, which implies the high Voc potential of the SCH solar cells based on p-type Si. An optical loss analysis is performed along with a possible solution to further improve the Jsc. The feasibility of TiO2 applied as an efficient electron transport layer (emitter) in p-type SCH solar cells with high performance has been showed.

Influence of copper on zinc oxide films and solar cell performance

Copper doped Zinc oxide and (n-ZnO / p-Si and n-ZnO: Cu / p-Si) thin films thru thickness (400±20) nm were deposited by thermal evaporation technique onto two substrates. The influence of different Cu percentages (1%,3% and 5%) on ZnO thin film besides hetero junction (ZnO / Si) characteristics were investigated, with X-ray diffractions examination supports ZnO films were poly crystal then hexagonal structural per crystallite size increase from (22.34 to 28.09) nm with increasing Cu ratio. The optical properties display exceptional optically absorptive for 5% Cu dopant with reduced for optically gaps since 3.1 toward 2.7 eV. Hall Effect measurements presented with all films prepared pure and doped have n-types conductive, with a maximum carriers concentrate of 3.9×1016 (cm-3 ) besides lower resistivity of 59.6 (Ω.cm) for films doped with 5% (Cu). The current- voltage (I-V) characteristics of heterojunction below illumination by incident power density (100 mW/cm2 ) showed that heterojunction (n-ZnO: 5%Cu / p-Si) has maximum efficiency (η =3.074 %).

Magnetization dynamics driven by displacement currents across a magnetic tunnel junction

Understanding the high-frequency transport characteristics of magnetic tunnel junctions (MTJs) is crucial for the development of fast-operating spintronics memories and radio frequency devices. Here, we present the study of a frequency-dependent capacitive current effect in CoFeB/MgO-based MTJs and its influence on magnetization dynamics using a time-resolved magneto-optical Kerr effect technique. In our device, operating at gigahertz frequencies, we find a large displacement current of the order of mA, which does not break the tunnel barrier of the MTJ. Importantly, this current generates an Oersted field and spin-orbit torque, inducing magnetization dynamics. Our discovery holds promise for building robust MTJ devices operating under high current conditions, also highlighting the significance of capacitive impedance in high-frequency magnetotransport techniques. Published by the American Physical Society 2024

Photoresponse dependence of WS2/Pt Schottky junction on the features of Pt nanoparticles

In this study, we delve into the photoresponsive characteristics of Schottky junctions fabricated through the deposition of Pt nanoparticles (NPs) onto multilayer WS2 sheets grown via chemical vapor deposition. Our analysis encompasses a comprehensive examination of the junction's morphology, structural attributes, and photophysical behavior. Of particular interest is the intricate relationship between the efficiency of hot electron injection and the specific properties of the Pt NPs, namely their density and size. Our findings reveal that Pt NPs effectively extinguish the photoluminescence of WS2, an outcome attributed to the efficient separation of photo-generated electron-hole pairs facilitated by the WS2/Pt Schottky junction. This process, however, does not significantly alter the electronic configuration of WS2. The modulation of exciton radiative decay is shown to be contingent upon the size and density of the Pt NPs, with an average size of 1.27 nm and density of 0.82/nm² yielding the most rapid exciton decay rate of 1.15 ns. This pronounced dependence of exciton dynamics on Pt NPs features can be attributed to the quenching effect exerted by densely packed Pt NPs, which also plays a pivotal role in the injection of hot electrons from Pt to WS2. The enhancement of internal photoemission is evidenced by a pronounced increase in near-infrared photoresponse within the 800–1000 nm range. Furthermore, the optimization of Pt NPs features leads to superior photoresponsive performance in the WS2/Pt Schottky junctions, manifesting as a responsivity of 280 A/W and a detectivity of 7.77 × 1012 Jones at a wavelength of 850 nm. This photoresponse's dependence on Pt NPs features underscores the dual mechanism governing photodetection in the WS2/Pt Schottky junction: a synergistic interplay between hot electron injection and the separation of photo-excited electron-hole pairs.

Exact solutions for thermally induced electromechanical fields of PN junctions in centrosymmetric semiconductors

PN junctions play important roles in semiconductor devices. Flexoelectricity, an electromechanical coupling between strain gradient and electric polarization, has non-negligible contributions in nano-devices. The thermoflexoelectric effect is a phenomenon in which temperature gradients generate inhomogeneous strains and further induce flexoelectric polarizations. Therefore, temperature gradients can affect carrier transport in PN junctions through the thermoflexoelectric effect. In this paper, a one-dimensional model of the PN junction under a uniform temperature change is established. Exact solutions for the electromechanical fields in the PN junction are obtained for the first time. The effects of the temperature gradient, doping level, and flexoelectric coefficient on the electromechanical behaviors of the PN junction are numerically analyzed. The results indicate that carrier concentrations in the p and n regions are sensitive to temperature gradients because of the screening effect of the mobile charge on the flexoelectric polarization induced by the temperature gradient. Meanwhile, the flexoelectric field and the initial built-in electric field in the depletion region jointly determine the magnitude of the potential barrier, and thus, the temperature-gradient-induced flexoelectric field can tune the switching characteristics of the PN junction. This study provides a theoretical basis for the tuning of the electromechanical behavior of the PN junction by thermally induced flexoelectric fields.

Volatile memory characteristics of CMOS-compatible HZO ferroelectric layer for reservoir computing

Recently, ferroelectric memory utilizing hafnium oxide has emerged as an attractive option compared to existing memory technologies, primarily due to its scalability and energy-efficient advantages. Among them, hafnium zirconium oxide (HZO) is examined for its short-term memory characteristics to achieve a reservoir computing system known to exhibit remarkable polarization properties, being able to switch between distinct polarization states under the influence of an electric field. These unique properties are of utmost importance in ferroelectric memory applications, where they play a pivotal role in the storage and retrieval of binary data. In this study, we identify and experiment with the electrical characteristics of a ferroelectric tunnel junction (FTJ) device with a metal-ferroelectric-semiconductor (MFS) structure using TiN as the top electrode and HZO as the ferroelectric layer. Moreover, we assess the performance of the device by evaluating its maximum 2Pr (remnant polarization) and tunneling electro resistance (TER) values in different conditions of cell area. Furthermore, we analyze and show short-term memory (STM) characteristics and synaptic properties with 5 cycles of potentiation and depression under conditions of stable dynamic range by coordinating identical and incremental pulses. In the case of incremental pulses (>95 %), the MNIST pattern recognition accuracy is higher than in the case of identical pulses (>94 %). Through a sequence of procedures, the synaptic characteristics of FTJs are confirmed to assess their suitability for use as an artificial synaptic device.

Intestinal Ketogenesis and Permeability.

Consumption of a high-fat diet (HFD) has been suggested as a contributing factor behind increased intestinal permeability in obesity, leading to increased plasma levels of microbial endotoxins and, thereby, increased systemic inflammation. We and others have shown that HFD can induce jejunal expression of the ketogenic rate-limiting enzyme mitochondrial 3-hydroxy-3-methylglutaryl-CoA synthase (HMGCS). HMGCS is activated via the free fatty acid binding nuclear receptor PPAR-α, and it is a key enzyme in ketone body synthesis that was earlier believed to be expressed exclusively in the liver. The function of intestinal ketogenesis is unknown but has been described in suckling rats and mice pups, possibly in order to allow large molecules, such as immunoglobulins, to pass over the intestinal barrier. Therefore, we hypothesized that ketone bodies could regulate intestinal barrier function, e.g., via regulation of tight junction proteins. The primary aim was to compare the effects of HFD that can induce intestinal ketogenesis to an equicaloric carbohydrate diet on inflammatory responses, nutrition sensing, and intestinal permeability in human jejunal mucosa. Fifteen healthy volunteers receiving a 2-week HFD diet compared to a high-carbohydrate diet were compared. Blood samples and mixed meal tests were performed at the end of each dietary period to examine inflammation markers and postprandial endotoxemia. Jejunal biopsies were assessed for protein expression using Western blotting, immunohistochemistry, and morphometric characteristics of tight junctions by electron microscopy. Functional analyses of permeability and ketogenesis were performed in Caco-2 cells, mice, and human enteroids. Ussing chambers were used to analyze permeability. CRP and ALP values were within normal ranges and postprandial endotoxemia levels were low and did not differ between the two diets. The PPARα receptor was ketone body-dependently reduced after HFD. None of the tight junction proteins studied, nor the basal electrical parameters, were different between the two diets. However, the ketone body inhibitor hymeglusin increased resistance in mucosal biopsies. In addition, the tight junction protein claudin-3 was increased by ketone inhibition in human enteroids. The ketone body β-Hydroxybutyrate (βHB) did not, however, change the mucosal transition of the large-size molecular FD4-probe or LPS in Caco-2 and mouse experiments. We found that PPARα expression was inhibited by the ketone body βHB. As PPARα regulates HMGCS expression, the ketone bodies thus exert negative feedback signaling on their own production. Furthermore, ketone bodies were involved in the regulation of permeability on intestinal mucosal cells in vitro and ex vivo. We were not, however, able to reproduce these effects on intestinal permeability in vivo in humans when comparing two weeks of high-fat with high-carbohydrate diet in healthy volunteers. Further, neither the expression of inflammation markers nor the aggregate tight junction proteins were changed. Thus, it seems that not only HFD but also other factors are needed to permit increased intestinal permeability in vivo. This indicates that the healthy gut can adapt to extremes of macro-nutrients and increased levels of intestinally produced ketone bodies, at least during a shorter dietary challenge.

Reliable wafer-scale integration of two-dimensional materials and metal electrodes with van der Waals contacts

Since the first report on single-layer MoS2 based transistor, rapid progress has been achieved in two-dimensional (2D) material-based atomically thin electronics, providing an alternative approach to solve the bottleneck in silicon device miniaturization. In this scenario, reliable contact between the metal electrodes and the subnanometer-thick 2D materials becomes crucial in determining the device performance. Here, utilizing the quasi-van der Waals (vdW) epitaxy of metals on fluorophlogopite mica, we demonstrate an all-stacking method for the fabrication of 2D devices with high-quality vdW contacts by mechanically transferring pre-deposited metal electrodes. This technique is applicable for complex device integration with sizes up to the wafer scale and is also capable of tuning the electric characteristics of the interfacial junctions by transferring selective metals. Our results provide an efficient, scalable, and low-cost technique for 2D electronics, allowing high-density device integration as well as a handy tool for fundamental research in vdW materials.

Patient-derived induced pluripotent stem cells with a MERTK mutation exhibit cell junction abnormalities and aberrant cellular differentiation potential.

Human induced pluripotent stem cell (hiPSC) technology is a valuable tool for generating patient-specific stem cells, facilitating disease modeling, and investigating disease mechanisms. However, iPSCs carrying specific mutations may limit their clinical applications due to certain inherent characteristics. To investigate the impact of MERTK mutations on hiPSCs and determine whether hiPSC-derived extracellular vesicles (EVs) influence anomalous cell junction and differentiation potential. We employed a non-integrating reprogramming technique to generate peripheral blood-derived hiPSCs with and hiPSCs without a MERTK mutation. Chromosomal karyotype analysis, flow cytometry, and immunofluorescent staining were utilized for hiPSC identification. Transcriptomics and proteomics were employed to elucidate the expression patterns associated with cell junction abnormalities and cellular differentiation potential. Additionally, EVs were isolated from the supernatant, and their RNA and protein cargos were examined to investigate the involvement of hiPSC-derived EVs in stem cell junction and differentiation. The generated hiPSCs, both with and without a MERTK mutation, exhibited normal karyotype and expressed pluripotency markers; however, hiPSCs with a MERTK mutation demonstrated anomalous adhesion capability and differentiation potential, as confirmed by transcriptomic and proteomic profiling. Furthermore, hiPSC-derived EVs were involved in various biological processes, including cell junction and differentiation. HiPSCs with a MERTK mutation displayed altered junction characteristics and aberrant differentiation potential. Furthermore, hiPSC-derived EVs played a regulatory role in various biological processes, including cell junction and differentiation.

Half-metallic Heusler alloy/AlP based magnetic tunnel junction

Exploring the spin transport characteristics of magnetic tunnel junctions based on half-metallic Heusler holds significance, not only in unraveling the fundamental physics at play but also in advancing applications of spintronic devices. Here, density functional theory in conjunction with non-equilibrium Green’s functions has been systematically employed to investigate two prominent Heusler alloys, Co2CrAl and CoFeCrAl, which are of direct interest to the candidates of magnetic tunnel junction. The electronic structures of two Hesler alloys reveal that both exhibit characteristics of half-metallic ferromagnets, featuring a substantial spin-down bandgap and achieving 100% spin polarization. The tunneling magnetoresistance ratios obtained for Co2CrAl/AlP/Co2CrAl and CoFeCrAl/AlP/CoFeCrAl magnetic tunnel junctions are determined to be 173% and 59%, respectively, with the former exhibiting superior device characteristics. Therefore, the Co2CrAl/AlP-based magnetic tunnel junction demonstrates ideal performance, providing new opportunities for two-dimensional spintronics.

Current dependence of the low bias resistance of small capacitance Josephson junctions

The dc current-voltage characteristics of small Josephson junctions reveal features that are not observed in larger junctions, in particular, a switch to the finite voltage state at current values much less than the expected critical current of the junction and a finite resistance in the nominally superconducting regime. Both phenomena are due to the increased sensitivity to noise associated with the small capacitance of the Josephson junction and have been extensively studied a few decades ago. Here I focus on the current bias dependence of the differential resistance of the junction at low current bias in the nominally superconducting regime, using a quantum Langevin equation approach that enables a physically transparent incorporation of the noise environment of the junction. A similar approach might be useful in modeling the sensitivity of superconducting qubits to noise in the microwave regime.

Twist angle dependence of graphene-stacked junction characteristics

Vertically stacked graphene diodes are fabricated using epitaxially grown graphene with twist angles ranging from 0° to 30°. Their switching behavior and negative differential conductance are observed at all the measured angles. The junction conductance in the initial state does not indicate clear angle dependence and is almost constant, i.e. 231 μS for all devices. The junction conductance in the high-bias region exhibits a steep peak at 12°. The on/off ratio of the stacked junction diode indicates a maximum value of 142 at 12°. Therefore, the fabricated stacked graphene device with a simple structure exhibits strong nonlinear electrical properties and negative differential conductance at all twist angles. The on/off ratio of the stacked junction diodes is controlled by the twist angle between two single-crystal graphene layers.

Biofabrication of biomimetic undulating microtopography at the dermal-epidermal junction and its effects on the growth and differentiation of epidermal cells.

The undulating microtopography located at the junction of the dermis and epidermis of the native skin is called rete ridges (RRs), which plays an important role in enhancing keratinocyte function, improving skin structure and stability, and providing three-dimensional (3D) microenvironment for skin cells. Despite some progress in recent years, most currently designed and manufactured tissue-engineered skin models still cannot replicate the RRs, resulting in a lack of biological signals in the manufactured skin models. In this study, a composite manufacturing method including electrospinning, 3D printing, and functional coating was developed to produce the epidermal models with RRs. Polycaprolactone (PCL) nanofibers were firstly electrospun to mimic the extracellular matrix environment and be responsible for cell attachment. PCL microfibers were then printed onto top of the PCL nanofibers layer by 3D printing to quickly prepare undulating microtopography and finally the entire structures were dip-coated with gelatin hydrogel to form a functional coating layer. The morphology, chemical composition, and structural properties of the fabricated models were studied. The results proved that the multi-process composite fabricated models were suitable for skin tissue engineering. Live and dead staining, cell counting kit-8 (CCK-8) as well as histology (haematoxylin and eosin (HE) methodology) and immunofluorescence (primary and secondary antibodies combination assay) were used to investigate the viability, metabolic activity, and differentiation of skin cells forin vitroculturing.In vitroresults showed that each model had high cell viability, good proliferation, and the expression of differentiation marker. It was worth noting that the sizes of the RRs affected the cell growth status of the epidermal models. In addition, the unique undulation characteristics of the epidermal-dermal junction can be reproduced in the developed epidermal models. Overall, thesein vitrohuman epidermal models can provide valuable reference for skin transplantation, screening and safety evaluation of drugs and cosmetics.

CP-AFM Molecular Tunnel Junctions with Alkyl Backbones Anchored Using Alkynyl and Thiol Groups: Microscopically Different Despite Phenomenological Similarity.

In this paper, we report results on the electronic structure and transport properties of molecular junctions fabricated via conducting probe atomic force microscopy (CP-AFM) using self-assembled monolayers (SAMs) of n-alkyl chains anchored with acetylene groups (CnA; n = 8, 9, 10, and 12) on Ag, Au, and Pt electrodes. We found that the current-voltage (I-V) characteristics of CnA CP-AFM junctions can be very accurately reproduced by the same off-resonant single-level model (orSLM) successfully utilized previously for many other junctions. We demonstrate that important insight into the energy-level alignment can be gained from experimental data of transport (processed via the orSLM) and ultraviolet photoelectron spectroscopy combined with ab initio quantum chemical information based on the many-body outer valence Green's function method. Measured conductance GAg < GAu < GPt is found to follow the same ordering as the metal work function ΦAu < ΦAu < ΦPt, a fact that points toward a transport mediated by an occupied molecular orbital (MO). Still, careful data analysis surprisingly revealed that transport is not dominated by the ubiquitous HOMO but rather by the HOMO-1. This is an important difference from other molecular tunnel junctions with p-type HOMO-mediated conduction investigated in the past, including the alkyl thiols (CnT) to which we refer in view of some similarities. Furthermore, unlike in CnT and other junctions anchored with thiol groups investigated in the past, the AFM tip causes in CnA an additional MO shift, whose independence of size (n) rules out significant image charge effects. Along with the prevalence of the HOMO-1 over the HOMO, the impact of the "second" (tip) electrode on the energy level alignment is another important finding that makes the CnA and CnT junctions different. What ultimately makes CnA unique at the microscopic level is a salient difference never reported previously, namely, that CnA's alkyne functional group gives rise to two energetically close (HOMO and HOMO-1) orbitals. This distinguishes the present CnA from the CnT, whose HOMO stemming from its thiol group is well separated energetically from the other MOs.

Lateral junctions of transition metal dichalcogenides as ballistic channels for straintronic applications

In the context of advanced nanoelectronics, two-dimensional semiconductors such as transition metal dichalcogenides (TMDs) are gaining considerable interest due to their ultimate thinness, clean surface and high carrier mobility. The engineering prospects offered by those materials are further enlarged by the recent realization of atomically sharp TMD-based lateral junctions, whose electronic properties are governed by strain effects arising from the constituents lattice mismatch. Although most theoretical studies considered only misfit strain, first-principles simulations are employed here to investigate the transport properties under external deformation of a three-terminal device constructed from a MoS2/WSe2/MoS2 junction. Large modulation of the current is reported owing to the change in band offset, illustrating the importance of strain on the p–n junction characteristics. The device operation is demonstrated for both local and global deformations, even for ultra-short channels, suggesting potential applications for ultra-thin body straintronics.