Electron transport properties of sub-3-nm diameter copper nanowires

Density functional theory and density functional tight-binding are applied to model electron transport in copper nanowires of approximately 1 nm and 3 nm diameters with varying crystal orientation and surface termination. The copper nanowires studied are found to be metallic irrespective of diameter, crystal orientation and/or surface termination. Electron transmission is highly dependent on crystal orientation and surface termination. Nanowires oriented along the [110] crystallographic axis consistently exhibit the highest electron transmission while surface oxidized nanowires show significantly reduced electron transmission compared to unterminated nanowires. Transmission per unit area is calculated in each case, for a given crystal orientation we find that this value decreases with diameter for unterminated nanowires but is largely unaffected by diameter in surface oxidized nanowires for the size regime considered. Transmission pathway plots show that transmission is larger at the surface of unterminated nanowires than inside the nanowire and that transmission at the nanowire surface is significantly reduced by surface oxidation. Finally, we present a simple model which explains the transport per unit area dependence on diameter based on transmission pathways results

Air sensitivity of MoS2, MoSe2, MoTe2, HfS2 and HfSe2

A surface sensitivity study was performed on different transition-metal dichalcogenides (TMDs) under ambient conditions in order to understand which material is the most suitable for future device applications. Initially, Atomic Force Microscopy and Scanning Electron Microscopy studies were carried out over a period of 27 days on mechanically exfoliated flakes of 5 different TMDs, namely, MoS2, MoSe2, MoTe2, HfS2, and HfSe2. The most reactive were MoTe2 and HfSe2. HfSe2, in particular, showed surface protrusions after ambient exposure, reaching a height and width of approximately 60 nm after a single day. This study was later supplemented by Transmission Electron Microscopy (TEM) cross-sectional analysis, which showed hemispherical-shaped surface blisters that are amorphous in nature, approximately 180–240 nm tall and 420–540 nm wide, after 5 months of air exposure, as well as surface deformation in regions between these structures, related to surface oxidation. An X-ray photoelectron spectroscopy study of atmosphere exposed HfSe2 was conducted over various time scales, which indicated that the Hf undergoes a preferential reaction with oxygen as compared to the Se. Energy-Dispersive X-Ray Spectroscopy showed that the blisters are Se-rich; thus, it is theorised that HfO2 forms when the HfSe2 reacts in ambient, which in turn causes the Se atoms to be aggregated at the surface in the form of blisters. Overall, it is evident that air contact drastically affects the structural properties of TMD materials. This issue poses one of the biggest challenges for future TMD-based devices and technologies

Structural and electronic properties of polycrystalline InAs thin films deposited on silicon dioxide and glass at temperatures below 500 °c

Polycrystalline indium arsenide (poly InAs) thin films grown at 475 °C by metal organic vapor phase epitaxy (MOVPE) are explored as possible candidates for low-temperature-grown semiconducting materials. Structural and transport properties of the films are reported, with electron mobilities of ~100 cm2/V·s achieved at room temperature, and values reaching 155 cm2/V·s for a heterostructure including the polycrystalline InAs film. Test structures fabricated with an aluminum oxide (Al2O3) top-gate dielectric show that transistor-type behavior is possible when poly InAs films are implemented as the channel material, with maximum ION/IOFF > 250 achieved at −50 °C and ION/IOFF = 90 at room temperature. Factors limiting the ION/IOFF ratio are investigated and recommendations are made for future implementation of this material

Quantum confinement-induced semimetal-to-semiconductor evolution in large-area ultra-thin PtSe2 films grown at 400 °C

In this work, we present a comprehensive theoretical and experimental study of quantum confinement in layered platinum diselenide (PtSe2) films as a function of film thickness. Our electrical measurements, in combination with density functional theory calculations, show distinct layer-dependent semimetal-to-semiconductor evolution in PtSe2 films, and highlight the importance of including van der Waals interactions, Green’s function calibration, and screened Coulomb interactions in the determination of the thickness-dependent PtSe2 energy gap. Large-area PtSe2 films of varying thickness (2.5–6.5 nm) were formed at 400 °C by thermally assisted conversion of ultra-thin platinum films on Si/SiO2 substrates. The PtSe2 films exhibit p-type semiconducting behavior with hole mobility values up to 13 cm2/V·s. Metal-oxide-semiconductor field-effect transistors have been fabricated using the grown PtSe2 films and a gate field-controlled switching performance with an ION/IOFF ratio of >230 has been measured at room temperature for a 2.5–3 nm PtSe2 film, while the ratio drops to <2 for 5–6.5 nm-thick PtSe2 films, consistent with a semiconducting-to-semimetallic transition with increasing PtSe2 film thickness. These experimental observations indicate that the low-temperature growth of semimetallic or semiconducting PtSe2 could be integrated into the back-end-of-line of a silicon complementary metal-oxide-semiconductor process

High Hole Mobility Polycrystalline GaSb Thin Films

In this paper, we report on the structural and electronic properties of polycrystalline gallium antimonide (poly-GaSb) films (50–250 nm) deposited on p+ Si/SiO2 by metalorganic vapour phase epitaxy at 475 °C. GaSb films grown on semi-insulating GaAs substrates are included as comparative samples. In all cases, the unintentionally doped GaSb is p-type, with a hole concentration in the range of 2 × 1016 to 2 × 1017 cm−3. Exceptional hole mobilities are measured for polycrystalline GaSb on SiO2 in the range of 9–66 cm2/Vs, exceeding the reported values for many other semiconductors grown at low temperatures. A mobility of 9.1 cm2/Vs is recorded for an amorphous GaSb layer in a poly-GaAs/amorphous GaSb heterostructure. Mechanisms limiting the mobility in the GaSb thin films are investigated. It is found that for the GaSb grown directly on GaAs, the mobility is phonon-limited, while the GaSb deposited directly on SiO2 has a Coulomb scattering limited mobility, and the poly-GaAs/amorphous GaSb heterostructure on SiO2 displays a mobility which is consistent with variable-range-hopping. GaSb films grown at low temperatures demonstrate a far greater potential for implementation in p-channel devices than for implementation in ICs

Hall-effect mobility for a selection of natural and synthetic 2D semiconductor crystals

We present a DC-AC Hall-effect analysis on transition-metal-dichalcogenides comprising natural crystals of molybdenum disulfide and tungsten diselenide; and synthetic crystals of hafnium diselenide, molybdenum ditelluride, molybdenum diselenide and niobium-doped molybdenum disulfide. We observe a wide range of Hall mobility and carrier concentration values with either a net electron or hole carrier type. The synthetic niobium-doped molybdenum disulfide crystal exhibits a net hole carrier type and a carrier concentration approximately two orders of magnitude higher than a non-intentionally doped natural molybdenum disulfide crystal, with an equivalent reduction in Hall mobility. This synthetic niobium-doped molybdenum disulfide crystal also shows a significantly reduced resistivity when compared to the other crystals. Secondary ion mass spectrometry shows higher counts of niobium in the intentionally-doped synthetic niobium-molybdenum disulfide crystal, in addition to various other high contamination counts in both the natural and synthetic molybdenum disulfide crystals, correlating well with the significant range of high resistivity observed. Compared to silicon, the resistivity in these contaminated TMD materials reduces less rapidly with increasing equivalent carrier concentration levels, and the resistivity is higher in magnitude by a factor of approximately 4-10 when compared to silicon, which in turn reduces the achievable Hall mobility by at least a similar factor. It is therefore suggested that more controlled growth methods of TMD materials which lead to significantly reduced contamination elements and levels, with improved stoichiometry, could potentially provide a significant increase in Hall mobility assuming no change in carrier properties

Structural and electrical investigation of MoS2 thin films formed by thermal assisted conversion of Mo metal

Large-area synthesis is of great demand for the preparation of high-performance transition-metal-dichalcogenides (TMD) devices, however there are only limited reports to date of device operation on large-area TMDs. In this work we fabricate MoS2 devices based on Thermal Assisted Conversion (TAC) of metal layers, and characterize the thin-films with material analysis combined with electrical device parameter extraction. Specifically we report on temperature dependent parameter extraction for Ti/Au contacts to MoS2 thin-films to determine sheet resistance (Rsh), resistivity (ρ), and the activation energy (EA) of on-state current flow. For undoped MoS2, ρ was determined to be 191 Ω.cm at 25°C. The activation energy of the on-state current was found to be 0.18 eV, pointing to the presence of deep levels in MoS2