N-type Ohmic Contact Research Articles

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.

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.

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.

Contact evaluation of the penta-PdPSe/graphene vdW heterojunction: tuning the Schottky barrier and optical properties.

In this work, we design a van der Waals heterojunction composed of semiconducting penta-PdPSe and semi-metallic graphene (G) monolayers based on state-of-the-art theoretical calculations. Our results show that both monolayers well preserve their intrinsic features and possess an n-type near Ohmic Schottky contact with a low Schottky barrier height of 0.085 eV for the electrons at the vertical interface. The electronic band alignment suggests a negative band bending of -1.47 eV at the lateral interface, implying electrons as the major transport carriers. Moreover, the transmission gap closely mirrors the heterojunction's band gap, indicating a subtle yet profound interaction between graphene and penta-PdPSe monolayers, which leads to enhanced optical absorption coefficient reaching 106 cm-1 and strong conductivity spanning the visible to ultraviolet region. In addition, our study demonstrates the ability to modify the penta-PdPSe/G heterojunction interface, switching between p-type as well as Ohmic contacts by applying external electric fields. These properties render the penta-PdPSe/G heterojunction promising for optoelectronic applications.

Tunable ohmic van der Waals-type contacts in monolayer C3N field-effect transistors.

Monolayer (ML) C3N, a novel two-dimensional flat crystalline material with a suitable bandgap and excellent carrier mobility, is a prospective channel material candidate for next-generation field-effect transistors (FETs). The contact properties of ML C3N-metal interfaces based on FETs have been comprehensively investigated with metal electrodes (graphene, Ti2C(OH/F)2, Zr2C(OH/F)2, Au, Ni, Pd, and Pt) by employing ab initio electronic structure calculations and quantum transport simulations. The contact properties of ML C3N are isotropic along the armchair and zigzag directions except for the case of Au. ML C3N establishes vertical van der Waals-type ohmic contacts with all the calculated metals except for Zr2CF2. The ML C3N-graphene, -Zr2CF2, -Ti2CF2, -Pt, -Pd, and -Ni interfaces form p-type lateral ohmic contacts, while the ML C3N-Ti2C(OH)2 and -Zr2C(OH)2 interfaces form n-type lateral ohmic contacts. The ohmic contact polarity can be regulated by changing the functional groups of the 2D MXene electrodes. These results provide theoretical insights into the characteristics of ML C3N-metal interfaces, which are important for choosing suitable electrodes and the design of ML C3N devices.

Pulsed sputtering selective epitaxial formation of highly degenerate n-type GaN ohmic contacts for GaN HEMT applications

This study describes the selective formation process of highly degenerate n-type GaN (d-GaN) ohmic contacts for the source and drain regions of GaN high electron mobility transistors (HEMTs) using pulsed sputtering deposition (PSD). The selective formation process using SiO2 masks and PSD epitaxial growth enabled the uniform formation of d-GaN in micron-meter size. The optimally formed d-GaN exhibited a minimum resistivity as low as 0.16 mΩ·cm, an electron concentration of 3.6 × 1020 cm−3, and a mobility of 108 cm2 V−1 s−1. Transmission-line-method measurements demonstrated that the contact resistance of GaN HEMTs with d-GaN regrowth contacts was remarkably low at 0.28 Ω·mm, leading to the reasonable DC output characteristics with an on-resistance of 2.8 Ω·mm and a maximum current density of 850 mA mm−1. These findings suggest that PSD epitaxial regrowth of d-GaN is a promising approach for the high-throughput formation of low-resistivity ohmic contacts on large-area GaN HEMT wafers.

Monolayer SnS2 Schottky barrier field effect transistors: effects of electrodes.

Achieving Ohmic contacts with low resistance is quite desirable for two-dimensional (2D) Schottky barrier field effect transistors (SBFETs). We verify the electrode effect on monolayer (ML) SnS2 SBFETs using ab initio calculations. With the aforeselected ML electrodes from matching lattices and work functions, we obtain n-type Ohmic contacts or quasi-Ohmic contacts to ML SnS2 with ML 1T-NbTe2, Sc2NF2, Mo2NF2, Nb2CF2, and graphene electrodes. The n-type ML SnS2 SBFET with the Ohmic-contact 1T-NbTe2 electrode exhibits remarkably better device performance than that with a Schottky-contact 2H-NbTe2 electrode, and their on-state currents of 629/1048 μA μm-1, delay times of 0.236/0.169 ps, and power dissipations of 0.074/0.089 fJ μm-1 exceed the International Roadmap for Devices and Systems targets for low-power/high-performance application. This study reports on Ohmic-contact electrodes for n-type ML SnS2 SBFETs and can give hints for future theoretical and experimental studies on 2D SBFETs.

Annealing temperature dependent properties for Ni/Ti/W Ohmic contacts simultaneously formed on n- and p-type 4H-SiC

The paper investigated the annealing temperature dependence of electrical and structural properties for Ni (50 nm)/Ti (60 nm)/W (60 nm) Ohmic contacts simultaneously formed on n- and p-type 4H-SiC by in-depth electrical and physical characterization. With the annealing temperature rising in the range of 900 °C–1050 °C, the specific contact resistances (SCRs) of both n- and p-type Ohmic contacts monotonously decreased with a similar trend in the range of 1 × 10−4–1 × 10−6 Ω cm2, which was favorable for the simultaneous formation of n- and p-type Ohmic contacts with lower SCRs in the active region. For n-type Ohmic contacts, the variation of SCRs with annealing temperatures was correlated to the relative proportion of the total contact area occupied by the (220) plane compared to the other planes for the polycrystalline and textured δ-Ni2Si film at the contact interface characterized by x-ray diffraction. Furthermore, the surface morphology of Ohmic contacts under different annealing temperatures was highly similar with almost identical root mean square roughness of about 6.2 nm measured by atomic force microscopy (AFM), which was thought to be smooth enough for the wire bonding process from the perspective of device applications. The distinct W layer with no evidence of obvious intermixing and the great distance of released free carbon away from the contact surface makes the surface morphology smooth and uniform.

AlN/AlGaN/AlN quantum well channel HEMTs

We present a compositional dependence study of electrical characteristics of AlxGa1−xN quantum well channel-based AlN/AlGaN/AlN high electron mobility transistors (HEMTs) with x=0.25,0.44, and 0.58. This ultra-wide bandgap heterostructure is a candidate for next-generation radio frequency and power electronics. The use of selectively regrown n-type GaN Ohmic contacts results in contact resistance that increases as the Al content of the channel increases. The DC HEMT device characteristics reveal that the maximum drain current densities progressively reduce from 280 to 30 to 1.7 mA/mm for x=0.25,0.44, and 0.58, respectively. This is accompanied by a simultaneous decrease (in magnitude) in threshold voltage from −5.2 to −4.9 to −2.4 V for the three HEMTs. This systematic experimental study of the effects of Al composition x on the transistor characteristics provides valuable insights for engineering AlGaN channel HEMTs on AlN for extreme electronics at high voltages and high temperatures.

Ohmic Behavior in Metal Contacts to n/p-Type Transition-Metal Dichalcogenides: Schottky versus Tunneling Barrier Trade-off

High contact resistance (RC) between 3D metallic conductors and single-layer 2D semiconductors poses major challenges toward their integration in nanoscale electronic devices. While in experiments the large RC values can be partly due to defects, ab initio simulations suggest that, even in defect-free structures, the interaction between metal and semiconductor orbitals can induce gap states that pin the Fermi level in the semiconductor band gap, increase the Schottky barrier height (SBH), and thus degrade the contact resistance. In this paper, we investigate, by using an in-house-developed ab initio transport methodology that combines density functional theory and nonequilibrium Green’s function (NEGF) transport calculations, the physical properties and electrical resistance of several options for n-type top metal contacts to monolayer MoS2, even in the presence of buffer layers, and for p-type contacts to monolayer WSe2. The delicate interplay between the SBH and tunneling barrier thickness is quantitatively analyzed, confirming the excellent properties of the Bi–MoS2 system as an n-type ohmic contact. Moreover, simulation results supported by literature experiments suggest that the Au–WSe2 system is a promising candidate for p-type ohmic contacts. Finally, our analysis also reveals that a small modulation of a few angstroms of the distance between the (semi)metal and the transition-metal dichalcogenide (TMD) leads to large variations of RC. This could help to explain the scattering of RC values experimentally reported in the literature because different metal deposition techniques can result in small changes of the metal-to-TMD distance besides affecting the density of possible defects.

Electronic contacts and lubricity characteristics between monolayer WSe2 and Zr2C, Zr2CY2 (Y = F or OH)

The research on the interface contact characteristics is one of the hot topics for the van der Waals (vdW) heterostructure. We studied the electronic and frictional characteristics for the WSe2/Zr2C and WSe2/Zr2CY2 (Y = F or OH) vdW heterostructure by using DFT simulations. n-type Ohmic contacts are found for all the vdW heterostructures. The friction force and shear strength of the WSe2/Zr2CY2 (Y = F or OH) vdW heterostructures are more than one order of magnitude lower than the WSe2/Zr2C vdW heterostructure. The extremely low friction value of the WSe2/Zr2C(OH)2 vdW heterostructure is only 0.00185–0.00975 nN/atom. The weak interaction and smooth condition between interfaces are responsible for the small potential energy fluctuations and thus the low friction force.

Interface contact and modulated electronic properties by in-plain strains in a graphene-MoS2 heterostructure.

Designing a specific heterojunction by assembling suitable two-dimensional (2D) semiconductors has shown significant potential in next-generation micro-nano electronic devices. In this paper, we study the structural and electronic properties of graphene-MoS2 (Gr-MoS2) heterostructures with in-plain biaxial strain using density functional theory. It is found that the interaction between graphene and monolayer MoS2 is characterized by a weak van der Waals interlayer coupling with the stable layer spacing of 3.39 Å and binding energy of 0.35 J m-2. In the presence of MoS2, the linear bands on the Dirac cone of graphene are slightly split. A tiny band gap about 1.2 meV opens in the Gr-MoS2 heterojunction due to the breaking of sublattice symmetry, and it could be effectively modulated by strain. Furthermore, an n-type Schottky contact is formed at the Gr-MoS2 interface with a Schottky barrier height of 0.33 eV, which can be effectively modulated by in-plane strain. Especially, an n-type ohmic contact is obtained when 6% tensile strain is imposed. The appearance of the non-zero band gap in graphene has opened up new possibilities for its application and the ohmic contact predicts the Gr-MoS2 van der Waals heterojunction nanocomposite as a competitive candidate in next-generation optoelectronics and Schottky devices.

Interfacial electronic properties between PtSe2 and 2D metal electrodes: a first-principles simulation.

Monolayer (ML) PtSe2 is a two-dimensional (2D) semiconductor with a modest band gap and high carrier mobility, and it is a promising 2D material for electronic devices. Finding suitable metal electrodes is a key factor in fabricating high-performance PtSe2 field effect transistors (FETs). In this study, a series of 2D metals, transition metal dichalcogenides (NbSe2, TaS2), borophene, and MXenes (V2C(OH)2, V2CF2, Nb2C(OH)2, Nb2CF2, Nb2CO2, Hf2C(OH)2, Hf2CF2) were used as electrodes for FET fabrication. The interfacial electronic properties of electrodes and PtSe2 were studied in both the vertical and lateral directions using the ab initio method. In the vertical direction, PtSe2 formed ohmic contacts with most of the 2D metals except for Nb2CF2 and Hf2CF2. Specifically, in the cases of Nb2CF2 and Hf2CF2, p- and n-type Schottky contacts were formed with Schottky barrier heights (SBHs) of 0.48 eV and 0.02 eV, respectively. In the lateral direction, PtSe2 with contacting Hf2CF2 and V2C(OH)2 electrodes formed n-type Schottky contacts with SBHs of 0.14 eV and 0.09 eV, respectively. In the cases of TaS2 and Nb2CF2 electrodes, p-type Schottky contacts with SBHs of 0.35 eV and 0.29 eV, respectively, were formed. Moreover, n-type ohmic contacts were observed when Hf2C(OH)2 and Nb2C(OH)2 electrodes were applied, and p-type ohmic contacts were formed when borophene, NbSe2, Nb2CO2, and V2CF2 electrodes were used. This work reports a systematic investigation of ML PtSe2-2D metal interfaces and serves as a practical guide for selecting electrode materials for PtSe2 FETs.

Electric field and strain engineering tuning of 2D Gr/α-Ga2O3 van der Waals heterostructures

The Gr/α-Ga2O3↑ and Gr/α-Ga2O3↓ vdWHs exhibit n-type Schottky contacts with a minimal Schottky barrier height of 0.043 eV and n-type Ohmic contacts, respectively.

Ohmic contacts of the two-dimensional Ca2N/MoS2 donor-acceptor heterostructure.

In the current stage, conventional silicon-based devices are suffering from the scaling limits and the Fermi level pinning effect. Therefore, looking for low-resistance metal contacts for semiconductors has become one of the most important topics, and two-dimensional (2D) metal/semiconductor contacts turn out to be highly interesting. Alternatively, the Schottky barrier and the tunneling barrier impede their practical applications. In this work, we propose a new strategy for reducing the contact potential barrier by constructing a donor-acceptor heterostructure, that is, Ca2N/MoS2 with Ca2N being a 2D electrene material with a significantly small work function and a rather high carrier concentration. The quasi-bond interaction of the heterostructure avoids the formation of a Fermi level pinning effect and gives rise to high tunneling probability. An excellent n-type Ohmic contact form between Ca2N and MoS2 monolayers, with a 100% tunneling probability and a perfect linear I-V curve, and large lateral band bending also demonstrates the good performance of the contact. We verify a fascinating phenomenon that Ca2N can trigger the phase transition of MoS2 from 2H to 1T'. In addition, we also identify that Ohmic contacts can be formed between Ca2N and other 2D transition metal dichalcogenides (TMDCs), including WS2, MoSe2, WSe2, and MoTe2.

4H-SiC Ohmic contacts formation by MoS2 layer intercalation: A first-principles study

Due to the difficulty of forming a low Schottky barrier at the interface of a metal/SiC contact, preparing Ohmic contacts is still a key technical problem in developing SiC devices. In this paper, the effects of MoS2 intercalation on the interface properties of metal/SiC (Al, Ag, Ti, Au, and Mg) systems were investigated by first-principles calculation. The calculations show that all the metal/SiC contacts exhibit p-type Schottky contacts with strong Fermi level pinning (FLP) at the interfaces. After inserting a layer of MoS2, the Schottky barrier heights are significantly reduced. All the metal/MoS2/SiC systems are tuned to be n-type Ohmic contacts. By calculating and analyzing electron localization functions, projected band structure, partial density of states, and planar-averaged charge density difference, the Ohmic contact formation mechanism may be due to the saturation of dangling bonds of the SiC surface, the reduction in metal-induced gap states, the formation of interface dipole layer, and the shift of FLP position to the interface of metal/MoS2.

Functional groups and vertical strain regulate the electronic properties of Nb2NT2/MoTe2 heterojunction

In the current effort, a novel attempt to construct heterojunctions using Nb2N two-dimensional MXene materials with fascinating property and MoTe2 transition metal disulfide compounds is proposed. The effect of vertical strain on the electronic structure and interfacial contact properties of the heterojunction is investigated by first principles calculations. The O, F, and OH functional groups prefer to be adsorbed on top of the N atoms of the Nb2N MXene material. The configuration III of heterojunction has the lowest energy and stable model, and the equilibrium layer spacing is within the range of 3.061 Å to 3.328 Å, indicating that they belong to typical vdW heterojunctions. The large work function difference between the two components induces the transfer and rearrangement of charge. 0.12 e per cell spontaneously transfer from MoTe2 to Nb2NO2 layer. In contrast, the Nb2NF2 and Nb2N(OH)2 layers transfer 0.01 e and 0.21 e to the MoTe2 layer, respectively. n-type Ohmic contacts are formed in O terminal system, while p-type and n-type Schottky contacts are formed in F and OH terminal systems, respectively. Additionally, for vertical strain, with the decrease of the layer spacing, the p-type Schottky barrier height (SBH) decreases from 0.270 eV to 0.095 eV in former system, meanwhile the n-type Schottky barrier height in the latter system also decreases from 0.260 eV to 0.156 eV. These regulations of interest lays a theoretical foundation for bandgap engineering and Schottky junction preparation and opens a window into MXene-based heterojunction electron device.

Graphene/Cs2PbI2Cl2 van der Waals heterostructure with tunable Schottky barriers and contact types

Two-dimensional halide perovskite Cs2PbI2Cl2 with the Ruddlesden–Popper structure has attracted much interest in both experiment and theory, owing to its excellent structural stability and electronic and optical properties. Here, we design the graphene/Cs2PbI2Cl2 van der Waals (vdW) heterostructure (HS) and comprehensively investigate its structural, electronic, and contact properties by using first principle calculations. Four types of graphene/Cs2PbI2Cl2 HSs are considered, and the most stable one is identified. Because the composed system has weak vdW interaction, the intrinsic band structures of both graphene and Cs2PbI2Cl2 are well maintained. Meanwhile, the graphene opens a minute energy gap of about 68 meV, which may have resulted from a broken sublattice inversion symmetry and tiny structure distortion. Moreover, it is found that graphene/Cs2PbI2Cl2 forms a p-type Schottky contact. The HS undergoes a contact-type transition to p-type Ohmic contact and n-type Ohmic contact from the original p-type Schottky contact under positive and negative electric fields, respectively. When interlayer coupling strength increases or decreases, a contact-type transition to the p-type Ohmic contact from the original p-type Schottky contact occurs. These findings provide a meaningful guidance for tuning the electronic properties and constructing high-performance graphene/Cs2PbI2Cl2 HS-based Schottky devices.