Metal-semiconductor Contact Research Articles

Mechanisms of Controllable Growth and Ohmic Contact of Two-Dimensional Molybdenum Disulfide: Insight from Atomistic Simulations.

ConspectusTwo-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs), in particular molybdenum disulfide (MoS2), have recently attracted huge interest due to their proper bandgap, high mobility at 2D limit, and easy-to-integrate planar structure, which are very promising for extending Moore's law in postsilicon electronics technology. Great effort has been devoted toward such a goal since the demonstration of protype MoS2 devices with high room-temperature on/off current ratios, ultralow standby power consumption, and atomic level scaling capacity down to sub-1-nm technology node. However, there are still several key challenges that need to be addressed prior to the real application of MoS2-based electronics technology. The controllable growth of wafer-scale single-crystal MoS2 on industry-compatible insulating substrates is the prerequisite of application while the currently synthesized MoS2 films mostly are polycrystalline with limited sizes of single-crystal domains and may involve metal substrates. The precise layer-control is also very important for MoS2 growth since its electronic properties are layer-dependent, whereas the layer-by-layer growth of multilayer MoS2 dominated by the van der Waals (vdW) epitaxy leads to poor thickness uniformity and noncontinuously distributed domains. High density up to 1013 cm-2 of sulfur vacancies (SVs) in grown MoS2 can cause unfavorable carrier scatting and electronic properties variations and will inevitably disturb the device performance. The dangling-bond-free surface of MoS2 gives rise to an inherent vdW gap at metal-semiconductor (M-S) contact, which leads to high electrical resistance and poor current-delivery capability at the contact interface and thereby substantially limits the performances of MoS2 devices.In this Account, we briefly review recent experimental and theoretical attempts for addressing the aforementioned challenges and present our own insights from atomistic simulations. We theoretically revealed the vital role of substrate steps for guiding unidirectional nucleation of monolayer MoS2 and uniform nucleation and edge-aligned growth of bilayer MoS2 by advanced simulations. The established thermodynamic mechanisms have successfully directed the experimental works on the controllable growth of 2 in. single-crystal monolayer and centimeter-scale uniform bilayer MoS2. The postgrowth repair mechanism of SV defect in MoS2 via thiol chemistry treatment has been theoretically explored with the consideration of side reaction of surface functionalization to help experimentally reduce SV defect density by 75%. Beyond the atomic level understanding, theoretical simulations proposed the electronic states hybridization mechanism across the semimetal-MoS2 vdW interface, thereby guiding experimental effort for realizing Ohmic contact at the MoS2-Sb(0112) vdW interface with record-low contact resistance.These advances provide a sound basis with an atomic-level understanding for addressing the related issues. However, there are still notable gaps in terms of system size and time scale of dynamics between atomistic simulations and experimental observations for the studies of MoS2 growth and interfaces. The combination of multiscale simulations and artificial intelligence technology is expected to narrow these gaps and provide a more insightful understanding of the controllable growth and interfacial properties modulation of MoS2. We conclude the Account with the standing challenges and outlook on future research directions from the theoretical perspective.

Understanding the Impact of Contact-Induced Strain on the Electrical Performance of Monolayer WS2 Transistors.

Two-dimensional (2D) electronics require low contact resistance (RC) to approach their fundamental limits. WS2 is a promising 2D semiconductor that is often paired with Ni contacts, but their operation is not well understood considering the nonideal alignment between the Ni work function and the WS2 conduction band. Here, we investigate the effects of contact size on nanoscale monolayer WS2 transistors and uncover that Ni contacts impart stress, which affects the WS2 device performance. The strain applied to the WS2 depends on contact size, where long (1 μm) contacts (RC ≈ 1.7 kΩ·μm) show a 78% reduction in RC compared to shorter (0.1 μm) contacts (RC ≈ 7.8 kΩ·μm). We also find that thermal annealing can relax the WS2 strain in long-contact devices, increasing RC to 8.5 kΩ·μm. These results reveal that thermo-mechanical phenomena can significantly influence 2D semiconductor-metal contacts, presenting opportunities to optimize device performance through nanofabrication and thermal budget.

Optimizing strategy of bifacial TOPCon solar cells with front-side local passivation contact realized by numerical simulation

The tunnelling oxide passivation contact (TOPCon) solar cells have been impressive in the global photovoltaic (PV) market originating from their high efficiency and stability. However, it exhibits significant recombination losses due to its boron diffusion, laser damage and metal-semiconductor contact on front side. The bifacial TOPCon structure demonstrates massive potential in the improvement of passivation and contact performance with the premise that it can solve the parasitic absorption of polycrystalline silicon (poly-Si). In this study, the localized poly finger structure with excellent optics and passivation performance is designed in the front side of bifacial solar cells to compare with traditional TOPCon and full-area poly passivation devices. The theoretical efficiency and detailed power loss analysis in our simulation reveal that suppressing the recombination of FSF (front surface field) and the contact area is the crucial strategy to improve device performance, with optimized efficiency of 26.62 % and FF of 85.16 %. These results indicate that the route of BJ (back junction) structure containing localized selective contact and full coverage high-quality passivation holds potential in realizing both high Jsc and Voc for FBC (front and back contact) solar cells, featuring great instructive significance for future industrialization of PV production.

Triggered Directed Electron Redistribution Endowed by Efficient Ohmic Contacts of NiMoN/Ni3S2 for Boosting Large Current‐Density Overall Seawater Splitting

AbstractThe rational construction of interfacial nanostructures of metal/semiconductor (MS) contacted electrocatalysts has a significant impact on improving their intrinsic activities. However, MS contacts are often plagued by a strong Fermi‐level pinning effect, resulting in the formation of the Schottky barrier that affects the adsorption of hydrogen/oxygen intermediates. Herein, an Ohmic contact between metallic Ni3S2 and semiconducting NiMoN is well‐designed, which effectively reduces the electron conduction barriers. The as‐obtained NiMoN/Ni3S2 has remarkable bifunctional water electrolysis performance. At 10 mA·cm−2, the overpotential of hydrogen evolution and oxygen evolution reaction is 70 and 154 mV, respectively. Impressively, the formation of hydroxide during surface reconstruction can avoid the chlorine evolution on the catalyst surface. At an industrial process temperature of 85 °C, it takes only 340 mV for the overall seawater splitting of 500 mA·cm−2. UPS and UV‐VIS diffuse spectra combined with theoretical calculation results confirm that the self‐driven directed electron transfer derived from the Ohmic contact can induce local electron enrichment at the interface region, thus promoting the formation of *O to *OOH. This study provides important insights into the coordinated modulation of built‐in electric fields and the preparation of efficient multifunctional catalysts with a high abundance of active sites.

Simulation study of cadmium-free CIGS solar cell for efficiency enhancement by minimizing recombination losses through back surface field mechanism

Thin-film photovoltaic cells provide benefits over conventional first-generation technology, including lighter weight, greater flexibility, and lower power generation costs. Chalcogenide solar cells offer good efficiency and technological maturity among thin-film technology. In this work, a solar cell device structure, Al/FTO/SnS2/CIGS/CuO/Ni, is examined using SCAPS-1D. Further, by incorporating the back surface field (BSF) layer, the conversion efficiency increased from 18.93 % to 29.88 %, followed by VOC of 0.96 V, JSC of 37.07 mA cm−2, and FF of 83.71 %. This increment in device performance is owing to the lowering back surface recombination velocity and the additional hole tunnelling activity offered by the BSF layer by forming a quasi-ohmic contact, i.e. metal-semiconductor contact with negligible junction resistance relative to the total resistance of the device. Throughout this research work, the authors studied several factors such as surface recombination velocity, temperature impact, front and back contact metal work functions, parasitic resistance impact, gallium proportion, and doping density impact on CIGS solar cells. The work also included a calibration with experimental data from published sources to validate the simulation results.This paper presents a new approach for producing high-efficiency, eco-friendly CIGS solar cells with CuO back surface field mechanism.

Constructing of n‐Type Semiconductor Heterostructures for Efficient Hydrazine‐Assisted Hydrogen Production

AbstractHydrazine‐assisted water electrolysis presents a promising approach toward energy‐efficient hydrogen production. However, the progress of this technology is hindered by the limited availability of affordable, efficient, and durable catalysts. In this study, a feasible strategy is proposed for interface modulation that enables efficient hydrogen evolution and hydrazine oxidation through the construction of n‐type semiconductor heterostructures. The metal–semiconductor contacts are rationally designed using ruthenium nanoclusters and a range of metal oxide (M–O) semiconductor heterostructures, including p‐type semiconductor substrates (NiO, Co3O4, NiCo2O4, CuCo2O4, ZnCo2O4) and n‐type semiconductor substrate (Fe2O3). Intriguingly, Ru nanoclusters supported on p‐type M–O substrates induce a transition from p‐type M–O to n‐type M‐O/Ru. The design of n‐type semiconductor heterostructures can significantly reduce space‐charge regions and increase charge carrier concentration, thereby improving the electrical conductivity of electrocatalysts. Moreover, Ru atoms can serve as highly efficient active sites for hydrogen evolution reaction and hydrazine oxidation reaction. The NiO/Ru heterostructure can drive current densities of 10 and 100 mA cm−2 with only 0.021 and 0.22 V cell voltages for hydrazine‐assisted water electrolysis. This work provides new insights for the development of highly efficient semiconductor catalysts, enabling energy‐saving hydrogen production.

Facile formation of van der Waals metal contact with III-nitride semiconductors

Metal–semiconductor contacts play a pivotal role in controlling carrier transport in the fabrication of modern electronic devices. The exploration of van der Waals (vdW) metal contacts in semiconductor devices can potentially mitigate Fermi-level pinning at the metal–semiconductor interface, with particular success in two-dimensional layered semiconductors, triggering unprecedented electrical and optical characteristics. In this work, for the first time, we report the direct integration of vdW metal contacts with bulk wide bandgap gallium nitride (GaN) by employing a dry transfer technique. High-angle annular dark-field scanning transmission electron microscopy explicitly illustrates the existence of a vdW gap between the metal electrode and GaN. Strikingly, compared with devices fabricated with electron beam-evaporated metal contacts, the vdW contact device exhibits a responsivity two orders of magnitude higher with a significantly suppressed dark current in the nanoampere range. Furthermore, by leveraging the high responsivity and persistent photoconductivity obtained from vdW contact devices, we demonstrate imaging, wireless optical communication, and neuromorphic computing functionality. The integration of vdW contacts with bulk semiconductors offers a promising architecture to overcome device fabrication challenges, forming nearly ideal metal–semiconductor contacts for future integrated electronics and optoelectronics.

Tunable Doping Strategy for Few-Layer MoS2 Field-Effect Transistors via NH3 Plasma Treatment.

Molybdenum disulfide (MoS2) is a promising candidate for next-generation transistor channel materials, boasting outstanding electrical properties and ultrathin structure. Conventional ion implantation processes are unsuitable for atomically thin two-dimensional (2D) materials, necessitating nondestructive doping methods. We proposed a novel approach: tunable n-type doping through sulfur vacancies (VS) and p-type doping by nitrogen substitution in MoS2, controlled by the duration of NH3 plasma treatment. Our results reveal that NH3 plasma exposure of 20 s increases the 2D sheet carrier density (n2D) in MoS2 field-effect transistors (FETs) by +4.92 × 1011 cm-2 at a gate bias of 0 V, attributable to sulfur vacancy generation. Conversely, treatment of 40 s reduces n2D by -3.71 × 1011 cm-2 due to increased nitrogen doping. X-ray photoelectron spectroscopy, Raman spectroscopy, and photoluminescence analyses corroborate these electrical characterization results, indicating successful n- and p-type doping. Temperature-dependent measurements show that the Schottky barrier height at the metal-semiconductor contact decreases by -31 meV under n-type conditions and increases by +37 meV for p-type doping. This study highlights NH3 plasma treatment as a viable doping method for 2D materials in electronic and optoelectronic device engineering.

Giant tunneling resistance and robust switching behavior in ferroelectric tunnel junctions of WS2/Ga2O3 heterostructures: The influence of metal–semiconductor contacts

The ferroelectric tunneling junctions (FTJs) are widely recognized as one of the non-volatile memories with significant potential. Ferroelectricity usually fades away as materials are thinned down below a critical value, and this problem is particularly acute in the case of shrinking device sizes, thus attracting attention to two-dimensional ferroelectric materials (2DFEMs). In this work, we designed 2D ferroelectric Ga2O3-based FTJs with out-of-plane polarization, and the influence of metal–semiconductor contact in the electrode region on the system is considered. Here, using density functional theory combined with the non-equilibrium Green's function approach to quantum transport calculations, we demonstrate robust ferroelectric polarization-controlled switching behavior between metallic and semiconducting states in Ga2O3/WS2 ferroelectric heterostructures. The potential barrier of the metal–semiconductor contact in the electrode region is lower than that of the intrinsic material, thereby resulting in an increased probability of electron tunneling. Our results reveal the crucial role of 2DFEMs in the construction of FTJs and highlight the significant impact of electrode contact types on performance. This provides a promising approach for developing high-density ferroelectric memories based on 2D ferroelectric semiconductor heterostructures.

Theory of piezotronic and piezo-phototronic effects on high performance perovskite solar cells

Piezotronic and piezo-phototronic effects can effectively modulate the Schottky barrier height (SBH) of the metal-semiconductor contact and the built-in electric field. Most models focus on the built-in electric field of perovskite solar cells, and polarization-modulated SBH is missing. We investigated piezotronic and piezo-phototronic effects on the Schottky barrier and built-in electric field of perovskite solar cells. A model of the surface potential induced by polarization was developed. The analytical and numerical results are calculated for perovskite solar cells. We found that the piezo-phototronic effect can significantly increase the performance of perovskite solar cells by reducing the height of the Schottky barrier. This model not only provides a fundamental physical picture of the piezotronic and piezo-phototronic effect on perovskite solar cells, but also paves a new path to develop high-efficiency perovskite solar cells.

Ohmic contacts to n-type SiC: Influence of Au and Ta intermediate layers

In this study, the optimization of metal-semiconductor contacts to reduce the contact resistance of ohmic contacts on n-type 4H-SiC. The commonly used Ni/Au metal scheme served as a reference. We introduced two novel metal schemes: (i) incorporating a thin interfacial Au layer (2 nm) into Ni/Au, resulting in Au/Ni/Au, and (ii) introducing a thin intermediate barrier layer of Ta (20 nm) into Ni/Au, resulting in Ni/Ta/Au. Rapid thermal annealing (RTA) is performed at different temperatures and durations and the electrical characteristics of the contacts are measured. X-ray diffraction analysis was employed to investigate the intermediate phases formed during annealing. In the Au/Ni/Au metal scheme, the presence of Au at the interface promoted the formation of additional phases of nickel-silicide (Ni3Si and Ni3Si2). Compared to the traditional Ni/Au scheme, the modified metal schemes led to lower surface roughness and reduced contact resistance. Specific contact resistivity values are calculated, 2.2 × 10−5 Ω-cm2 for Ni/Au, 1.37 × 10−5 Ω-cm2 for Au/Ni/Au, and 4.84 × 10−5 Ω-cm2 for Ni/Ta/Au. This research offers valuable insights for the selection of metal schemes in designing ohmic contacts on n-type SiC, with potential applications in various semiconductor device technologies.

Sp2 to sp3 hybridization transformation in 2D metal-semiconductor contact interface suppresses tunneling barrier and Fermi level pinning simultaneously

sp2 to sp3 hybridization transformation in 2D metal-semiconductor contact interface suppresses tunneling barrier and Fermi level pinning simultaneously

The study on influence factors of contact properties of metal-MoS2 interfaces

The metal and two-dimension (2D) semiconductor contact interfaces have a more considerable contact resistance hindering carrier injection, which makes the performance of 2D semiconductor devices less than the theory. The contact properties of Ni, Au, and Mo with MoS2 are simulated by the first-principles method. The interface dipole caused by the interface charge redistribution changes the work function difference at the metal-MoS2 interface, so the interface charge redistribution is one of the important factors for correctly evaluating the contact properties. Due to the metal-induced gap states (MIGS) at metal-monolayer (ML) MoS2 interfaces, the Fermi level is strongly pinned to fixed energy, and the Schottky barrier height (SBH) cannot be regulated efficiently by the metal work function. Although the work function of Au is bigger than Ni, the Fermi level of Au is pinned at a higher position. In the meantime, the bandgap of MoS2 narrows and metallization occurs due to the larger MIGS. In the Mo-MoS2 interface, the Fermi level is pinned near the conduction band minimum of MoS2. The contact resistances (Rc) of the three structures are tested by the Circular Transfer Length Method (CTLM), which is consistent with the prediction of the simulation. The Mo-MoS2 has the smallest Rc. The results indicate that contact resistance of 2D semiconductors cannot be simply predicted by soled work functions or Fermi level pinning, but is determined by several factors.

DNA-Templated Nanofabrication of CdS-Au Nanoscale Schottky Contacts and Electrical Characterization.

DNA-templated nanofabrication presents an innovative approach to creating self-assembled nanoscale metal-semiconductor-based Schottky contacts, which can advance nanoelectronics. Herein, we report the successful fabrication of metal-semiconductor Schottky contacts using a DNA origami scaffold. The scaffold, consisting of DNA strands organized into a specific linear architecture, facilitates the competitive arrangement of Au and CdS nanorods, forming heterojunctions, and addresses previous limitations in low electrical conductance making DNA-templated electronics with semiconductor nanomaterials. Electroless gold plating extends the Au nanorods and makes the necessary electrical contacts. Tungsten electrical connection lines are further created by electron beam-induced deposition. Electrical characterization reveals nonlinear Schottky barrier behavior, with electrical conductance ranging from 0.5 × 10-4 to 1.7 × 10-4 S. The conductance of these DNA-templated junctions is several million times higher than with our prior Schottky contacts. Our research establishes an innovative self-assembly approach with applicable metal and semiconductor materials for making highly conductive nanoscale Schottky contacts, paving the way for the future development of DNA-based nanoscale electronics.

Epitaxial Growth of Two-Dimensional MoO2-MoSe2 Metal-Semiconductor Heterostructures for Schottky Diodes.

The metal-semiconductor interface fabricated by conventional methods often suffers from contamination, degrading transport performance. Herein, we propose a one-pot chemical vapor deposition (CVD) process to create a two-dimensional (2D) MoO2-MoSe2 heterostructure by growing MoO2 seeds under a hydrogen environment, followed by depositing MoSe2 on the surface and periphery. The ultraclean interface is verified by cross-sectional scanning transmission electron microscopy and photoluminescence. Along with the high work function of semimetallic MoO2 (Ef = -5.6 eV), a high-rectification Schottky diode is fabricated based on this heterostructure. Furthermore, the Schottky diode exhibits an excellent photovoltaic effect with a high open-circuit voltage of 0.26 eV and ultrafast photoresponse, owing to the naturally formed metal-semiconductor contact with suppressed pinning effect. Our method paves the way for the fabrication of an ultraclean 2D metal-semiconductor interface, without defects or contamination, offering promising prospects for future nanoelectronics.

High-Performance LiNbO3 Domain Wall Memory Devices with Enhanced Selectivity via Optimized Metal-Semiconductor Contact.

Lithium niobate (LiNbO3) single-crystal nanodevices featuring elevated readout domain wall currents exhibit significant potential for integrated circuits in memory computing applications. Nevertheless, challenges stem from suboptimal electrode-LiNbO3 single crystal contact characteristics, which impact the stability of high currents within these devices. In this work, we concentrate on augmenting the domain wall current by refining the fabrication processes of domain wall random access memory (DWRAM). Each LiNbO3 domain wall nanodevice was fabricated using a self-aligned process. Device performance was significantly enhanced by introducing a 10 nm interlayer between the LiNbO3 and Cu electrodes. A comparative analysis of electrical properties was conducted on devices with interlayers made of chromium (Cr) and titanium (Ti), as well as devices without interlayers. After the introduction of the Ti interlayer, the device's coercive voltage demonstrated an 82% reduction, while the current density showed a remarkable 94-fold increase. A 100 nm sized device with the Ti interlayer underwent positive down-negative up pulse testing, demonstrating a writing time of 82 ns at 8 V and an erasing time of 12 μs at -9 V. These operating speeds are significantly faster than those of devices without interlayers. Moreover, the enhanced devices exhibited symmetrical domain switching hysteresis loops with retention times exceeding 106 s. Notably, the coercive voltage (Vc) dispersion remained narrow after more than 1000 switching cycles. At an elevated temperature of 400 K, the device's on/off ratio was maintained at 105. The device's embedded selector demonstrated an ultrahigh selectivity (>106) across various reading voltages. These results underscore the viability of high-density nanoscale integration of ferroelectric domain wall memory.

Strain-modulated electronics enabled by surface piezoelectricity

The strain-induced polarization in a piezoelectric semiconductor is an effective strategy to modulate its current transport. However, the piezoelectricity is degraded by the free charges, and the inevitable compromise of piezoelectricity and semiconductivity severely limits the material choice and device performance. We tackle this dilemma by investigating the polarization caused by broken translational symmetry of a material surface. The ubiquitous surface piezoelectricity of solid materials enables the strain-induced polarization change to control the electrical transport effectively in crystals without bulk piezoelectricity. The Schottky barrier is shown to prohibit the bulk charges from screening the surface polarization. The strain engineering of the barrier height leads to an exponential modulation of the current, and an unprecedented gauge factor of 3.10×108 and an on/off ratio of 2.53×105 are demonstrated. The outstanding tunability of current with the synergistic effect of the surface piezoelectricity and metal-semiconductor contact unlocks the device development from various materials.

INVESTIGATION OF THE ROLE OF METAL IN NON-ALLOY METAL-SEMICONDUCTOR (Si) CONTACT

In the paper is shown that the metal is a more active partner in Schottky diodes (SD) based on metal-semiconductor contact (MSC) from the series of semiconductor devices. It is shown the structural inhomogeneity of the interface, as a result of which the MSC as a parallel connection of numerous subdiodes having different parameters. To reveal the inhomogeneity of the metal on the properties of the MSC, the dependence of the barrier height of Schottky diodes on the contact area was investigated. It was assumed that in the case of a contact of a single-crystal semiconductor with a polycrystalline metal, the degree of inhomogeneity and accordingly, the number of subcontacts grow with increasing area.

Barrier Inhomogeneity of Pt/GaN Junctions with a Low-Temperature ALD Grown ZnO Interlayer

Semiconducting GaN can realize high performance electronic and power devices owing to its high electron mobility and thermal conductivity where good metal-semiconductor contact is prerequisite. In this work, using thermal atomic layer deposition (ALD), ZnO interlayer was grown at 80°C on GaN and the Pt/ZnO/GaN heterojunctions were electrically characterized. The analyses on the current–voltage (I–V) and capacitance (C–V) data showed that the forward I–V conduction was involved with the inhomogeneous Schottky barrier. The higher density of interface states from I–V data than that from C–V data was attributed to nonuniform distribution of interface states. In addition, high density of interface states caused localized high electric field, caused higher Poole Frenkel emission coefficients than the theoretical one.

Competitive behavior between the piezoelectric and piezoresistive effects in monolayer WS2 photodetector

The strain induced piezoelectric and piezoresistive effects have been regarded as promising methods to regulate the photoelectric properties of two-dimensional transition metal dichalcogenides. However, the distinction between the influence of piezoelectric and piezoresistive effects on devices is ambiguous. Here, piezo-phototronic photodetectors based on monolayer WS2 were fabricated to investigate the competitive behavior of the piezoelectric and piezoresistive effects. We have shown that the piezoresistive effect dominates the photocurrent enhancement through narrowing the bandgap under small strain. With increasing strain, the influence of piezoelectric effect became more and more obvious, and it dominated the photo-induced carrier transport behavior through polarization charges accumulated at the metal–semiconductor contact interface when the strain exceeded 0.78%. Under the strain condition, the modulation of strain on photocurrent reached as high as 1400%.