N-type Contact Research Articles

Unveiling Versatile Electronic Properties and Contact Features of Metal-Semiconductor Graphene/γ-Ge2SSe van der Waals Heterostructures.

Recently, searching for a metal-semiconductor junction (MSJ) that exhibits low-contact resistance has received tremendous consideration, as they are essential components in next-generation field-effect transistors. In this work, we design a MSJ by integrating two-dimensional (2D) graphene as the metallic electrode and 2D Janus γ-Ge2SSe as the semiconducting channel using first-principles simulations. All the graphene/γ-Ge2SSe MSJs are predicted to be energetically, mechanically, and thermodynamically stable, characterized by the weak van der Waals (vdW) interactions. The graphene/γ-SGe2Se MSJ-vdWH form the n-type Schottky contact (SC), while the graphene/γ-SeGe2S MSJ-vdWH form the p-type one, suggesting that the switching between p-type and n-type SC in the graphene/γ-Ge2SSe MSJ-vdWHs can occur spontaneously by simply altering the stacking patterns, without requiring any external conditions. Notably, the contact features, including contact types and barriers of the graphene/γ-Ge2SSe MSJs are significant in versatility and can be altered by applying electric gating and adjusting interlayer spacing. Both the applied electric gating and strain engineering induce switchability between p- and n-type and SC to OC in the graphene/γ-Ge2SSE MSJs. This versatility underscores the potential of the graphene/γ-Ge2SSe MSJ for next-generation applications that require low-contact resistance and high performance.

Electrical contact property and control effects for stable T(H)-TaS2/C3B metal-semiconductor heterojunctions.

Metal-semiconductor heterojunctions are the basis for developing new electronic devices. Here, T(H)-TaS2/C3B metal-semiconductor heterostructures are constructed by different phase T- and H-TaS2 monolayers combined with the C3B monolayer. The calculated corrected binding energies, phonon band structures, elastic constants, and molecular dynamics simulations indicated that both heterojunctions are highly stable, meaning that T(H)-TaS2/C3B heterojunctions possibly exist in experiments. The electronic property calculations showed that the intrinsic T(H)-TaS2/C3B heterojunction is an n(p)-type Schottky contact with a low Schottky barrier height (SBH), which is very important for the design of high-performance field-effect transistors. The electronic properties of the T(H)-TaS2/C3B heterojunctions can be controlled by varying the vertical strain and external electric field; however, the strain only resulted in a small change in the heterojunction SBH. Nevertheless, under external electrical field control, the T-TaS2/C3B heterojunction could manage a transition from an n-type Schottky contact to an n-type Ohmic contact and the H-TaS2/C3B heterojunction could be altered from a p-type Schottky contact to a p-type Ohmic contact. These findings provide theoretical insights into the electronic and electrical contact properties of the T(H)-TaS2/C3B heterojunction, which could be beneficial for developing n-type MOS and p-type MOS transistors.

Schottky-barrier-free contacts with Janus WSSe 2D semiconductor using surface-engineered MXenes

Forming low-barrier contacts at metal/semiconductor interfaces is an important research area. The Fermi level pinning (FLP) effect is induced by strong interactions between 3D metal/semiconductor interfaces. By using a 2D metal in contact with a 2D semiconductor, the FLP effect can be weakened considerably, resulting in a reduction of the Schottky barrier height (SBH). Surface-engineered MXenes are the best electrode materials available presently. Therefore, herein, the interfacial properties of surface-engineered MXenes (M2CT2) (M=Hf, Mo, Ta, Zr, Nb; T = F, OH, O)/Janus WSSe (WSSe) heterostructures are systematically investigated using first-principles calculations. OH-terminated MXenes [M2C(OH)2]/WSSe heterostructures are found to form n-type ohmic contacts, and the tunnelling probabilities are high. O-terminated MXenes (M2CO2)/WSSe heterostructures tend to form p-type ohmic contacts and p-type Schottky contacts with a very low SBH, and the tunnelling probability is low. Conversely, F-terminated MXenes (M2CF2)/WSSe heterostructures form n-type and p-type Schottky contacts readily and n-type ohmic contacts (Hf2CF2/WSSe and Zr2CF2/SWSe heterostructures) partially, and the tunnelling probability is found to be low. In addition, the synergistic action of interface and intrinsic dipoles can effectively tune the contact type and SBH of the M2CT2/WSSe heterostructures, transforming the Mo2CF2/WSSe and Nb2CF2/WSSe heterostructures from n-type to p-type Schottky contacts. Through this novel strategy, an SB-free contact can be readily obtained, especially for OH-terminated MXenes (which are the most ideal electrode materials), followed by O-terminated MXenes. This work provides an important reference for the selection of suitable electrode materials and a novel approach for the development of high-performance electronic devices based on Janus WSSe.

Development and Characterization of N2O-Plasma Oxide Layers for High-Temperature p-Type Passivating Contacts in Silicon Solar Cells.

Full-area passivating contacts based on SiOx/poly-Si stacks are key for the new generation of industrial silicon solar cells substituting the passivated emitter and rear cell (PERC) technology. Demonstrating a potential efficiency increase of 1 to 2% compared to PERC, the utilization of n-type wafers with an n-type contact at the back and a p-type diffused boron emitter has become the industry standard in 2024. In this work, variations of this technology are explored, considering p-type passivating contacts on p-type Si wafers formed via a rapid thermal processing (RTP) step. These contacts could be useful in conjunction with n-type contacts for realizing solar cells with passivating contacts on both sides. Here, a particular focus is set on investigating the influence of the applied thermal treatment on the interfacial silicon oxide (SiOx) layer. Thin SiOx layers formed via ultraviolet (UV)-O3 exposure are compared with layers obtained through a plasma treatment with nitrous oxide (N2O). This process is performed in the same plasma enhanced chemical vapor deposition (PECVD) chamber used to grow the Si-based passivating layer, resulting in a streamlined process flow. For both oxide types, the influence of the RTP thermal budget on passivation quality and contact resistivity is investigated. Whereas the UV-O3 oxide shows a pronounced degradation when using high thermal budget annealing (T > 860 °C), the N2O-plasma oxide exhibits instead an excellent passivation quality under these conditions. Simultaneously, the contact resistivity achieved with the N2O-plasma oxide layer is comparable to that yielded by UV-O3-grown oxides. To unravel the mechanisms behind the improved performance obtained with the N2O-plasma oxide at high thermal budget, characterization by high-resolution (scanning) transmission electron microscopy (HR-(S)TEM), X-ray reflectometry (XRR) and X-ray photoelectron spectroscopy (XPS) is conducted on layer stacks featuring both N2O and UV-O3 oxides after RTP. A breakup of the UV-O3 oxide at high thermal budget is observed, whereas the N2O oxide is found to maintain its structural integrity along the interface. Furthermore, chemical analysis reveals that the N2O oxide is richer in oxygen and contains a higher amount of nitrogen compared to the UV-O3 oxide. These distinguishing characteristics can be directly linked to the enhanced stability exhibited by the N2O oxide under higher annealing temperatures and extended dwell times.

Recent Fundamental Advances in Quality of High-Performance and Highly-Scaled Carbon Nanotube Transistors

Recently a number of breakthroughs have been reported by our team in the component qualities of transistors built on Carbon Nanotube (CNT) channels. However, any emerging channel material which seeks to outperform established semiconductors for transistor logic applications has a substantial hill to climb, given the incredible capabilities of advanced Si-based logic technology platforms. This talk will first aim to frame our progress on Carbon Nanotube CMOS technology in the broader context of the value proposition and desired component qualities needed to realize practical impact in computing applications. Next, we will share advances in the fundamental building blocks for Carbon Nanotube transistors towards these targets including channel, contact, doping, and gate-stack modules. Finally we will describe new record CNT MOSFET performance milestones achieved by integrating best available device components for first time, which gives insight into the remaining performance limiters and future directions.[1] G. Pitner, et al., "Building High Performance Transistors on Carbon Nanotube Channel," VLSI 2023.[2] S. Li, et al., "High-Performance and Low Parasitic Capacitance CNT MOSFET: 1.2 mA/um at Vds of 0.75 V by self-aligned doping in sub-20 nm spacer," IEDM 2023.[3] N. Safron, et al., "Low N-type Contact Resistance to Carbon Nanotubes in Highly Scaled Contacts through Dielectric Doping," IEDM 2023.[4] H.-Y. Chiu, et al., "Self-Aligned Contact Doping for Performance Enhancement of Low-Leakage Self-Alignment Method for High-Density Aligned CNT Array," Advanced Materials Interfaces, 2023.[5] T.A. Chao, et al., "Small Molecule Additives to Suppress Bundling in Dimensional-Liminted Self-Alignment Method for High-Density Aligned CNT Array," Advanced Materials Interfaces, 2023.[6] Q. Lin, et al., " Band-to-Band Tunneling Leakage Current Characterization and Projection in Carbon Nanotube Transistors," ACS Nano 2023.[7] Z. Zhang, et al., "Complementary Carbon Nanotube Metal-Oxide-Semicondcutor Field-Effect Transistors with Localized Solid-State Extension DOping," Nature Electronics, 2023.[8] S.K. Su, et al., " Perspective on Low-Dimensional Channel Materials for Extremely Scaled CMOS," VLSI 2022.[9] Z. Zhang, et al., "Sub-Nanometer Interfacial Oxides on Highly Oriented Pyrolytic Graphite and Carbon Nanotubes Enabled by Lateral Oxide Growth," ACS Applied aterials & Interfaces, 2022.[10] G. Pitner, et al., "Sub-0.5 nm Interfacial Dielectrics Enables Superior Electrostatics: 65 mV/dec top-gated Carbon Nanotube FETs at 15 nm gate length," IEDM 2020.

Contact engineering for two-dimensional metal/qHP C60 van der Waals heterostructure

The fabrication of two-dimensional (2D) quasi-hexagonal phase (qHP) C60 semiconductor material offers a promising candidate for high-performance electronic devices. Selecting appropriate metals is crucial for achieving Ohmic contact (OhC) to enhance carrier injection efficiency. In this Letter, we used first-principles calculations to study the contact properties of seven 2D metal/qHP C60 van der Waals heterostructures. Metals with suitable work functions can form p-type Schottky contacts (p-ShCs), n-type Schottky contacts (n-ShCs), and OhCs. Differences in work function affect interface charge transfer, creating interface dipoles and causing band alignment deviations from the ideal Schottky–Mott limit. The calculated Fermi level pinning factors for n-type and p-type 2D metal/qHP C60 vdWh are 0.528 and 0.521, respectively. By regulating Φn and Φp based on electrostatic potential difference ΔV, we have achieved the ideal Schottky–Mott limit. We also studied the Schottky barrier height of the germanene/qHP C60 vdWh, finding that using electric field is an effective way to convert n-ShC to OhC or p-ShC. These findings provide theoretical guidance for constructing efficient 2D qHP C60 electronic devices.

Tunnel oxide passivating contact enabled by polysilicon on ultra-thin SiO2 for advanced silicon radiation detectors

Conventional silicon junction detectors encounter significant carrier recombination within the heavily doped p+ and n+ layers, as well as beneath the metal contact regions, creating the so-called “dead layers”, especially on the detector side. In this study, we present the tunnel oxide passivating contact with doped polysilicon on oxide, which demonstrates exceptional surface passivation and carrier selectivity. The key innovation lies in an ultra-thin (~ 1.5 nm) interfacial oxide layer that facilitates efficient majority carrier transportation via tunneling while effectively block minority carriers. Remarkably low saturation current densities, ranging from 5 to 10 fA/cm2 even with the metal contact, underscore the superiority of both n-type and p-type tunnel oxide passivating contacts. In contrast, conventional p–n junction or high-low junction exhibit saturation current densities ranging from 10 to 90 fA/cm2 in the studied p+ and n+ layers with surface passivation schemes due to Auger recombination and surface recombination, and 1000–6000 fA/cm2 with metal contacts due to intense metal-induced recombination at the interface. These findings indicate the potential and superiority of implementing n-type tunnel oxide passivating contact on the detector side and p-type contact on the back side for advanced silicon radiation detectors. This approach would enable thorough collection of generated charge carriers along the track of incident ionizing radiation particles, leading to improved energy resolution and reduced noise levels.

P-Type Schottky Contacts for Graphene Adjustable-Barrier Phototransistors.

The graphene adjustable-barriers phototransistor is an attractive novel device for potential high speed and high responsivity dual-band photodetection. In this device, graphene is embedded between the semiconductors silicon and germanium. Both n-type and p-type Schottky contacts between graphene and the semiconductors are required for this device. While n-type Schottky contacts are widely investigated, reports about p-type Schottky contacts between graphene and the two involved semiconductors are scarce. In this study, we demonstrate a p-type Schottky contact between graphene and p-germanium. A clear rectification with on-off ratios of close to 103 (±5 V) and a distinct photoresponse at telecommunication wavelengths in the infrared are achieved. Further, p-type silicon is transferred to or deposited on graphene, and we also observe rectification and photoresponse in the visible range for some of these p-type Schottky junctions. These results are an important step toward the realization of functional graphene adjustable-barrier phototransistors.

Carrier transport simulation methods for electronic devices with coexistence of quantum transport and diffusive transport

In this manuscript, carrier transport simulation methods are proposed for devices with the coexistence of quantum transport and diffusive transport by combining the nonequilibrium Green's function method with the drift-diffusion transport simulation method. Current continuity between quantum transport and drift-diffusion transport is ensured by setting quantum transport current as the connection boundary condition of drift-diffusion simulation or by introducing quantum transport-induced carrier generation rates to drift-diffusion simulation. A comprehensive study of our method and the method combining the Wentzel–Kramers–Brillouin (WKB) method with the drift-diffusion transport simulation method is performed for n-type tunnel oxide passivating contact solar cell to investigate their applicable conditions and balance the accuracy and computational cost. As the oxide barrier width, barrier height, and electron effective mass increase, or the doping concentration in the electron transport layer decreases to the extent that the blocking effect of the oxide barrier on light-generated electrons becomes significant, method I is more accurate since the transmission coefficient near the conduction band edge calculated by WKB is overestimated; otherwise, method II is more suitable due to its low computational cost without the loss of accuracy. In addition, the differences between current densities, carrier densities, and Shockley–Read–Hall recombination rates simulated under the two current continuity conditions for the solar cell with different carrier mobilities are also further explored and analyzed.

Strong hybridization of Nb2C with MoS2: a way to reduce contact resistance

The hybridization of MXene materials and transition metal dichalcogenides has a significant impact on heterojunction properties. The transport properties and electronic structure of heterojunctions of semiconducting MoS2 and metallic MXene Nb2C were studied by integrating density functional theory with non-equilibrium Green’s function theory. The hybridization between Nb2C and MoS2 makes the tunneling barrier between the two layers disappear, which can enhance the electron injection efficiency from the Nb2C to the MoS2. Moreover, the Nb2C/MoS2 heterojunction exhibits a conventional n-type Schottky contact with a barrier height of 0.14 eV, which is significantly lower than the barrier height of 0.29 eV at the Ti/MoS2 junction. These factors result in a field-effect transistor with a low contact resistance of 138 Ω·μm and a higher current of 1.09 mA μm−1 at a bias voltage of 0.3 V applied between the left and right electrodes. Following the application of gate voltage, the I on/I off ratio reaches 1266.

High-performance Schottky-barrier field-effect transistors based on two-dimensional GaN with Ag or Au contacts

The performance of two-dimensional (2D) monolayer GaN Schottky barrier field effect transistors (SBFETs) with four different metals (Ag, Au, Al, and Pt) as electrodes were studied by using ab initio simulations. The N-type Schottky contact is formed on Ag-GaN, Au-GaN, and Pt-GaN, characterized by electron Schottky barrier heights (SBH) of 0.6, 0.5, and 0.38 eV, respectively. Whereas, Al-GaN contact formed P-type Schottky contact with hole SBH of 1.42 eV. The 5.1 nm GaN SBFETs with four metal electrodes all could overcome the short-channel effect. Additionally, GaN SBFETs with Ag and Au electrodes have excellent performance, whose ON-currents are 1151.1 μA/μm and 1258.9 μA/μm, respectively. They could satisfy the demands of International Technology Roadmap for Semiconductors for high-performance transistor. Furthermore, research indicates that the device's current increases with increasing temperature. Notably, under the constant bias and gate voltage, the current is unaffected by temperature variations between the left and right electrodes.

Unveiling the electronic properties of BiP[formula omitted] triphosphide from bulk to graphene-based heterostructures by first-principles calculations

In our study, we investigated the structural and electronic properties of bismuth triphosphide (BiP3) in its bulk, few-layer, and monolayer forms. We found that BiP3 in bulk exhibits a metallic stable layered structure. The exfoliation energy of 1.07 J/m2 indicates ease exfoliation, comparable to other triphosphides. The band gap varies with thickness, transitioning from semiconductor–metal between four to five layers, influenced by interlayer coupling and quantum confinement. We also investigated the heterostructure created by depositing graphene (G) on few-layer BiP3. In monolayer (G/m-BiP3) and bilayer (G/2L-BiP3) forms, a metal–semiconductor junction is formed, characterized by weak vdW interactions at the interface and exhibiting p-type Schottky contacts. We observed that the Schottky Barrier Height (SBH) can be modulated by altering the interlayer distance between G and BiP3. This adjustment allows transitions between n-type and p-type Schottky contacts in G/m-BiP3 and the formation of an ohmic contact in G/2L-BiP3. Furthermore, applying an electric field affects the SBH, leading to similar transitions and the development of an ohmic contact. Additionally, our study shows that n-doping in graphene increases with the number of BiP3 layers and external electric field application. These properties position BiP3 few-layer as a promising material for nanoelectronic, optoelectronic, and graphene-based devices.

Electric-field-controlled Schottky barriers in BSe/M2CF2 (M = Ta, W) van der Waals heterostructures: A computational study

Constructing two-dimensional (2D) van der Waals (vdW) heterostructures is regarded as an effective strategy to explore novel properties and enhance the performance of 2D materials. Herein, taking full advantage of boron selenide (BSe) and MXenes, 2D BSe/MXene vdW heterostructures are designed and their electronic and interfacial properties are investigated via first-principles calculations, by using BSe/Ta2CF2 and BSe/W2CF2 as models. The band structures of the BSe and M2CF2 (M = Ta, W) layers in the BSe/M2CF2 heterostructures are preserved quite well due to the weak vdW interlayer interaction. The Fermi level shifts towards the conduction band minimum of the BSe layer, leading to an n-type Schottky contact. Interestingly, the interface charge redistribution in BSe/W2CF2 is more pronounced compared to BSe/Ta2CF2, which can be attributed to the disparity in electronegativity between Ta and W. In particular, the Schottky barrier heights of both heterostructures vary linearly with the vertical electric field within a certain range. This allows for the tuning of the Schottky contact from n-type to p-type. However, the variation rate in BSe/W2CF2 is comparatively lower than that in BSe/Ta2CF2. Moreover, when the positive electric field exceeds 1.0 V/Å, a transition from the Schottky contact to the Ohmic contact in BSe/W2CF2 occurs, whereas the contact remains the Schottky contact in BSe/W2CF2. This work offers valuable insights into developing electronic nano-devices with tunable Schottky barriers using vdW heterostructures.

Schottky diodes based on in-plane TaSi2N4–WGe2N4 and TaSi2N4–MoGe2N4 heterojunctions

Ideal metal–semiconductor interfaces in 2D lateral heterojunctions are important to realize high-performance Schottky diodes. Based on the first-principles calculations, we propose in-plane heterojunction diodes composed of the metallic TaSi2N4 and the semiconductive WGe2N4/MoGe2N4 monolayers with extremely low lattice mismatch and nearly free defect states. N-type Schottky contacts are confirmed in both TaSi2N4–WGe2N4 and TaSi2N4–MoGe2N4 heterojunctions by analyzing the energy band alignment, charge transfer, electrostatic differential potential, and effective potential. Then, the volt-ampere characteristics and the rectification effect of heterojunctions are investigated. An ultrahigh rectification ratio of 106/107 is obtained for the TaSi2N4–WGe2N4/MoGe2N4 heterojunction diode via regulating the length of the semiconductor part of the heterojunctions. The regulatory mechanism is elucidated by the asymmetrical evolutions of transmission spectra within positive and negative energy ranges. Finally, the rectification mechanism is revealed by the local density of states and the potential energy drop under bias voltages. These results provide a guideline for designing in-plane heterojunction diodes with ultrahigh rectification.

Screening ideal MXene electrodes for monolayer MoSe2: A first-principles study

Exploring proper electrodes with low-resistance contacts is vital for promoting the performance of nanoelectronics. We have screened 35 kinds of metallic monolayer (ML) MXenes for possible low-resistance contact electrodes with ML MoSe2 through first-principles calculations. The lattice mismatch and work function (WF) are used as two indicators to screen for possible electrodes. Then, we validate the interface contact characteristics of ten selected van der Waals (vdW) heterostructures. Notably, n-type Ohmic contacts are observed for the MoSe2/Mo2C(OH)2, MoSe2/Zr2C(OH)2, MoSe2/Sc2N(OH)2, MoSe2/Nb2C(OH)2, MoSe2/Zr2N(OH)2, and MoSe2/Zr2NF2 interfaces, while p-type (quasi) Ohmic contacts are observed at the MoSe2/Mo2NO2 and MoSe2/Sc2CO2 interfaces. All the above interfaces are stable, and the bands from each component layer are well preserved. The screening strategy is also suitable for identifying other low-resistance vdW contacts.

A new superior electronic properties Si allotrope for power electronic device applications

A new I−4 space group silicon allotrope is proposed in this paper. The electronics properties, mechanical properties and Ag(100)/I4Si(100) interface properties are studied using first principle calculations method. The results of the phonon show that I−4 Si is dynamically stable. Elastic constants reveal I−4 Si is dynamical stable. Electronics properties calculations reveal that the CBM and VBM of I−4 Si are at X and M point, which indicates that I−4 Si is an indirect band gap semiconductor with a high band gap of 1.95 eV. To satisfy the demands for fabricating electronic devices, the N-type doping, P-type doping and Ohmic contact are studied, too. The fermi energy level of N-type and P-type I−4 Si move into conduction band and valence band, respectively. The Schottky barrier of Ag/I-4 interface is 0.65 eV. Meanwhile, the current-voltage curve becomes highly symmetric, suggesting an Ohmic behavior of the Ag(100)/I4Si(100) interface. Critical breakdown field calculations results show that the critical breakdown field of I−4 Si is 9.05 × 105 V cm−1, which is 3.02 times that of the diamond Si. Because band gap and critical breakdown field of I-4 Si are much greater than that of diamond Si, I-4 Si is potential electronic semiconductor material. Thus, I−4 Si can be applied in the field of modern power electronic device applications due to its superior electronic properties.

Interfacial Properties of Anisotropic Monolayer SiAs Transistors

The newly prepared monolayer (ML) SiAs is expected to be a candidate channel material for next-generation nano-electronic devices in virtue of its proper bandgap, high carrier mobility, and anisotropic properties. The interfacial properties in ML SiAs field-effect transistors are comprehensively studied with electrodes (graphene, V2CO2, Au, Ag, and Cu) by using ab initio electronic structure calculations and quantum transport simulation. It is found that ML SiAs forms a weak van der Waals interaction with graphene and V2CO2, while it forms a strong interaction with bulk metals (Au, Ag, and Cu). Although ML SiAs has strong anisotropy, it is not reflected in the contact property. Based on the quantum transport simulation, ML SiAs forms n-type lateral Schottky contact with Au, Ag, and Cu electrodes with the Schottky barrier height (SBH) of 0.28 (0.27), 0.40 (0.47), and 0.45 (0.33) eV along the a (b) direction, respectively, while it forms p-type lateral Schottky contact with a graphene electrode with a SBH of 0.34 (0.28) eV. Fortunately, ML SiAs forms an ideal Ohmic contact with the V2CO2 electrode. This study not only gives a deep understanding of the interfacial properties of ML SiAs with electrodes but also provides a guide for the design of ML SiAs devices.

A Novel N-Type Molecular Dopant With a Closed-Shell Electronic Structure Applicable to the Vacuum-Deposition Process.

Rational design, synthesis, and characterization of a new efficient versatile n-type dopant with a closed-shell electronic structure are described. By employing the tetraphenyl-dipyranylidene (DP0) framework with two 7π-electron systems modified with N,N-dimethylamino groups as the strong electron-donating substituent, 2,2',6,6'-tetrakis[4-(dimethylamino)phenyl]-4,4'-dipyranylidene (DP7), a closed-shell molecule with an extremely high-lying energy level of the highest occupied molecular orbital, close to 4.0eV below the vacuum level, is successfully developed. Thanks to its thermal stability, DP7 is applicable to vacuum deposition, which allows utilization of DP7 in bulk doping for the development of n-type organic thermoelectric materials and contact doping for reducing contact resistance in n-type organic field-effect transistors. As vacuum-deposition processable n-type dopants are very limited, DP7 stands out as a useful n-type dopant, particularly for the latter purpose.

Graphene/WGe2N4 van der Waals heterostructure: Controllable Schottky barrier by an electric field

The van der Waals (vdW) heterostructures exhibit excellent promise in nanoelectronics and optoelectronics. We present a novel vdW heterostructure made of graphene and a monolayer (ML) of WGe2N4 and use first-principles calculations to investigate how the Schottky barrier height (SBH) is impacted by an external electric field (Eext). Both component layers retain their fundamental electronic characteristics well due to the weak interfacial interaction. The graphene/WGe2N4 heterojunction is sensitive to Eext. The contact becomes an n-type and p-type ohmic contact at Eext = -0.3 V/Å and 0.6 V/Å, respectively. These findings suggest promising applications of the graphene/WGe2N4 vdW heterostructure in nanoelectronics.

Electronic properties, interface contact and transport properties of strain-modulated MS2/borophosphene and MSeS/borophosphene (M = Cr, Mo, W) heterostructure: Insights from first-principles

Controlling the interface contact performance to form low-resistance ohmic contact is of great importance in designing low-power two-dimensional (2D) devices. Here, we explore a 2D semi-metal with Dirac cones, borophosphene, for different types of contact with MS2, MSeS/borophosphene (M = Cr, Mo, W) using density functional theory (DFT) and non-equilibrium Green's function (NEGF) methods. The results indicate that under no strain, different van der Waals heterojunctions (vdWHs) exhibit an n-type (p-type) Schottky contact type, with the CrS2/borophosphene vdWHs exhibiting a lower barrier height (Φn = 0.08 eV). Next, we find that the in-plane strain is more efficient than the vertical strain. Under in-plane strain modulation, the contact type will change from Schottky to Ohmic contacts as the tensile strain increases. Similarly, the contact type will change from Schottky to semiconductor as the compressive strain increases. Under the influence of vertical strain, the CrS2/borophosphene vdWHs transition into ohmic contact only when the interlayer spacing increases to above 0.4 Å. Finally, we study the ohmic contact formation and transport characteristics based on the device angle. These findings demonstrate that interface contact types can be effectively regulated by strain, which is crucial for the design and manufacturing of novel nano electronic devices composed of borophosphene based vdWHs.