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Defect-Seeded Atomic Layer Deposition of Metal Oxides on the Basal Plane of 2D Layered Materials
Atomic layer deposition (ALD) on mechanically exfoliated 2D layered materials spontaneously produces network patterns of metal oxide nanoparticles in triangular and linear deposits on the basal surface. The network patterns formed under a range of ALD conditions and were independent of the orientation of the substrate in the ALD reactor. The patterns were produced on MoS 2 or HOPG when either tetrakis(dimethylamido)titanium or bis(ethylcyclopentadienyl)manganese were used as precursors, suggesting that the phenomenon is general for 2D materials. Transmission electron microscopy revealed the presence, prior to deposition, of dislocation networks along the basal plane of mechanically exfoliated 2D flakes, indicating that periodical basal plane defects related to disruptions in the van der Waals stacking of layers, such as perfect line dislocations and triangular extended stacking faults networks, introduce a surface reactivity landscape that leads to the emergence of patterned deposition.
Tail-ion transport and Knudsen layer formation in the presence of magnetic fields
Knudsen layer losses of tail fuel ions could reduce significantly the fusion reactivity of highly compressed cylindrical and spherical targets in inertial confinement fusion (ICF). With the class of magnetized ICF targets in mind, the effect of embedded magnetic fields on Knudsen layer formation is investigated for the first time. The modified energy scaling of ion diffusivity in magnetized hot spots is found to suppress the preferential losses of tail-ions perpendicular to the magnetic field lines to a degree that the tail distribution can be at least partially, if not fully, restored. Two simple threshold conditions are identified leading to the restoration of fusion reactivity in magnetized hot spots. A kinetic equation for tail-ion transport in the presence of a magnetic field is derived, and solutions to the equation are obtained numerically in simulations. Numerical results confirm the validity of the threshold conditions for restored reactivity and identify two different asymptotic regimes of the fusion fuel. While Knudsen layer formation is shown to be suppressed entirely in strongly magnetized cylindrical hot spot cavities, uniformly magnetized spherical cavities demonstrate remnant, albeit reduced, levels of tail-ion depletion.
Ultrathin highly uniform Ni(Al) germanosilicide layer with modulated B8 type Ni{sub 5}(SiGe){sub 3} phase formed on strained Si{sub 1−x}Ge{sub x} layers
We present a method to form ultrathin highly uniform Ni(Al) germanosilicide layers on compressively strained Si{sub 1−x}Ge{sub x} substrates and their structural characteristics. The uniform Ni(Al) germanosilicide film is formed with Ni/Al alloy at an optimized temperature of 400 °C with an optimized Al atomic content of 20 at. %. We find only two kinds of grains in the layer. Both grains show orthogonal relationship with modified B8 type phase. The growth plane is identified to be (10-10)-type plane. After germanosilicidation the strain in the rest Si{sub 1−x}Ge{sub x} layer is conserved, which provides a great advantage for device application.
Suppression of surface segregation of the phosphorous δ-doping layer by insertion of an ultra-thin silicon layer for ultra-shallow Ohmic contacts on n-type germanium
We demonstrate the formation of abrupt phosphorus (P) δ-doping profiles in germanium (Ge) by the insertion of ultra-thin silicon (Si) layers. The Si layers at the δ-doping region significantly suppress the surface segregation of P during the molecular beam epitaxial growth of Ge and high-concentration active P donors are confined within a few nm of the initial doping position. The current-voltage characteristics of the P δ-doped layers with Si insertion show excellent Ohmic behaviors with low enough resistivity for ultra-shallow Ohmic contacts on n-type Ge.
Reduced interface recombination in Cu{sub 2}ZnSnS{sub 4} solar cells with atomic layer deposition Zn{sub 1−x}Sn{sub x}O{sub y} buffer layers
Cu{sub 2}ZnSnS{sub 4} (CZTS) solar cells typically include a CdS buffer layer in between the CZTS and ZnO front contact. For sulfide CZTS, with a bandgap around 1.5 eV, the band alignment between CZTS and CdS is not ideal (“cliff-like”), which enhances interface recombination. In this work, we show how a Zn{sub 1−x}Sn{sub x}O{sub y} (ZTO) buffer layer can replace CdS, resulting in improved open circuit voltages (V{sub oc}) for CZTS devices. The ZTO is deposited by atomic layer deposition (ALD), with a process previously developed for Cu(In,Ga)Se{sub 2} solar cells. By varying the ALD process temperature, the position of the conduction band minimum of the ZTO is varied in relation to that of CZTS. A ZTO process at 95 °C is found to give higher V{sub oc} and efficiency as compared with the CdS reference devices. For a ZTO process at 120 °C, where the conduction band alignment is expected to be the same as for CdS, the V{sub oc} and efficiency is similar to the CdS reference. Further increase in conduction band minimum by lowering the deposition temperature to 80 °C shows blocking of forward current and reduced fill factor, consistent with barrier formation at the junction. Temperature-dependent current voltage analysis gives an activation energy for recombination of 1.36 eV for the best ZTO device compared with 0.98 eV for CdS. We argue that the V{sub oc} of the best ZTO devices is limited by bulk recombination, in agreement with a room temperature photoluminescence peak at around 1.3 eV for both devices, while the CdS device is limited by interface recombination.
First principles calculations of point defect diffusion in CdS buffer layers: Implications for Cu(In,Ga)(Se,S){sub 2} and Cu{sub 2}ZnSn(Se,S){sub 4}-based thin-film photovoltaics
We investigate point defects in CdS buffer layers that may arise from intermixing with Cu(In,Ga)Se{sub 2} (CIGSe) or Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSSe) absorber layers in thin-film photovoltaics (PV). Using hybrid functional calculations, we characterize the migration barriers of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities and assess the activation energies necessary for their diffusion into the bulk of the buffer. We find that Cu, In, and Ga are the most mobile defects in CIGS-derived impurities, with diffusion expected to proceed into the buffer via interstitial-hopping and cadmium vacancy-assisted mechanisms at temperatures ∼400 °C. Cu is predicted to strongly favor migration paths within the basal plane of the wurtzite CdS lattice, which may facilitate defect clustering and ultimately the formation of Cu-rich interfacial phases as observed by energy dispersive x-ray spectroscopic elemental maps in real PV devices. Se, Zn, and Sn defects are found to exhibit much larger activation energies and are not expected to diffuse within the CdS bulk at temperatures compatible with typical PV processing temperatures. Lastly, we find that Na interstitials are expected to exhibit slightly lower activation energies than K interstitials despite having a larger migration barrier. Still, we find both alkali species are expected to diffuse via an interstitially mediated mechanism at slightly higher temperatures than enable In, Ga, and Cu diffusion in the bulk. Our results indicate that processing temperatures in excess of ∼400 °C will lead to more interfacial intermixing with CdS buffer layers in CIGSe devices, and less so for CZTSSe absorbers where only Cu is expected to significantly diffuse into the buffer.
Linearity optimization of atomic layer deposited ZrO{sub 2} metal-insulator-metal capacitors by inserting interfacial Zr-doped chromia layers
In order to improve the electrical behaviour of metal-insulator-metal capacitors with ZrO{sub 2} insulator grown by Atomic Layer Deposition, the influence of the insertion of interfacial Cr layers between Pt electrodes and the zirconia is investigated. An improvement of the α-voltage coefficient of capacitance as low as 567 ppm/V{sup 2} is achieved for a single layer of Cr while maintaining a high capacitance density of 10.7 fF/μm{sup 2} and a leakage current of less than 1.2 × 10{sup −8} A/cm{sup 2} at +1 V. The role of the interface is discussed by means of X-ray photoelectron spectroscopy and high-resolution transmission electron microscopy showing the formation of Zr stabilized chromia oxide phase with a dielectric constant of 16.
High reliable and stable organic field-effect transistor nonvolatile memory with a poly(4-vinyl phenol) charge trapping layer based on a pn-heterojunction active layer
In this letter, we demonstrate a high reliable and stable organic field-effect transistor (OFET) based nonvolatile memory (NVM) with a polymer poly(4-vinyl phenol) (PVP) as the charge trapping layer. In the unipolar OFETs, the inreversible shifts of the turn-on voltage (V{sub on}) and severe degradation of the memory window (ΔV{sub on}) at programming (P) and erasing (E) voltages, respectively, block their application in NVMs. The obstacle is overcome by using a pn-heterojunction as the active layer in the OFET memory, which supplied a holes and electrons accumulating channel at the supplied P and E voltages, respectively. Both holes and electrons transferring from the channels to PVP layer and overwriting the trapped charges with an opposite polarity result in the reliable bidirectional shifts of V{sub on} at P and E voltages, respectively. The heterojunction OFET exhibits excellent nonvolatile memory characteristics, with a large ΔV{sub on} of 8.5 V, desired reading (R) voltage at 0 V, reliable P/R/E/R dynamic endurance over 100 cycles and a long retention time over 10 years.
Observation of turnover of spontaneous polarization in ferroelectric layer of pentacene/poly-(vinylidene-trifluoroethylene) double-layer capacitor under photo illumination by optical second-harmonic generation measurement
The details of turnover process of spontaneous polarization and associated carrier motions in indium-tin oxide/poly-(vinylidene-trifluoroethylene)/pentacene/Au capacitor were analyzed by coupling displacement current measurement (DCM) and electric-field-induced optical second-harmonic generation (EFISHG) measurement. A model was set up from DCM results to depict the relationship between electric field in semiconductor layer and applied external voltage, proving that photo illumination effect on the spontaneous polarization process lied in variation of semiconductor conductivity. The EFISHG measurement directly and selectively probed the electric field distribution in semiconductor layer, modifying the model and revealing detailed carrier behaviors involving photo illumination effect, dipole reversal, and interfacial charging in the device. A further decrease of DCM current in the low voltage region under illumination was found as the result of illumination effect, and the result was argued based on the changing of the total capacitance of the double-layer capacitors.
UV light induced insulator-metal transition in ultra-thin ZnO/TiO{sub x} stacked layer grown by atomic layer deposition
In the present study, atomic layer deposition has been used to grow a series of Ti incorporated ZnO thin films by vertically stacking different numbers (n = 1–7) of ZnO/TiO{sub x} layers on (0001) sapphire substrates. The effects of defect states mediated chemisorption of O{sub 2} and/OH groups on the electrical properties of these films have been investigated by illuminating the samples under UV light inside a high vacuum optical cryostat. The ultra-thin film having one stacked layer (n = 1) did not show any change in its electrical resistance upon UV light exposure. On the contrary, marginal drop in the electrical resistivity was measured for the samples with n ≥ 3. Most surprisingly, the sample with n = 2 (thickness ∼ 12 nm) showed an insulator to metal transition upon UV light exposure. The temperature dependent electrical resistivity measurement on the as grown film (n = 2) showed insulating behaviour, i.e., diverging resistivity on extrapolation to T→ 0 K. However, upon UV light exposure, it transformed to a metallic state, i.e., finite resistivity at T → 0 K. Such an insulator-metal transition plausibly arises due to the de-trapping of conduction electrons from the surface defect sites which resulted in an upward shift of the Fermi level above the mobility edge. The low-temperature electron transport properties on the insulating film (n = 2) were investigated by a combined study of zero field electrical resistivity ρ(T) and magnetoresistance (MR) measurements. The observed negative MR was found to be in good agreement with the magnetic field induced suppression of quantum interference between forward-going paths of tunnelling electrons. Both ρ(T) and MR measurements provided strong evidence for the Efros-Shklovskii type variable range hopping conduction in the low-temperature (≤40 K) regime. Such studies on electron transport in ultra-thin n-type doped ZnO films are crucial to achieve optimum functionality with long term reliability of ZnO based transparent conducting oxides.
Focusing of dipole radiation by a negative index chiral layer. 1. A thick layer as compared with the wavelength
We have derived and investigated the analytical expressions for the fields of scattered radiation of an electric dipole source by a chiral (bi-isotropic) layer with arbitrary permittivity and permeability and arbitrary thickness. It is shown that in the negativeindex chiral layer the focus spot of dipole radiation is split due to excitation of right- and left-hand circularly polarised waves. The conditions are found under which the waves with one of the polarisations can be suppressed, which leads to a substantial improvement of the focusing properties of the chiral layer. (metamaterials)
Atomic layer etching removal of damaged layers in a contact hole for low sheet resistance
A damaged layer remains on silicon substrates after high-aspect-ratio contact (HARC) etching when using a fluorocarbon gas. Atomic layer etching (ALET) is a technique that can be applied to remove the damaged layer of silicon, removing about 1.36 Å per etch cycle. The characteristics of contact damage removal by ALET are investigated and compared with the conventional damage removal technique of low-power CF{sub 4} plasma etching. The low-power CF{sub 4} plasma etching technique not only has inadequate etch depth control, but also introduces secondary damage by implanting impurities about 25 Å into the contact bottom of the silicon surface. However, ALET allows contact damage to be removed effectively without introducing secondary damage to the substrate, and with precision etch depth control at the angstrom scale. When ALET is applied subsequent to low-power CF{sub 4} plasma etching, the fluorine- and carbon-damaged silicon is effectively removed in about 10 cycles. The sheet resistance of HARC etched silicon decreases from 142 to 137 Ω/□ after using low-power CF{sub 4} plasma etching, and subsequent ALET treatment further decreases the sheet resistance to 129 Ω/□, which is close to the reference value of 124 Ω/□.
Capacitance and conductance versus voltage characterization of Al{sub 2}O{sub 3} layers prepared by plasma enhanced atomic layer deposition at 25 °C≤ T ≤ 200 °C
In this work, plasma enhanced atomic layer deposited (PE-ALD) samples were prepared at substrate temperatures in the range between room temperature (RT) and 200 °C and investigated by capacitance–voltage and conductance–voltage recordings. The measurements are compared to standard thermal atomic layer deposition (T-ALD) at 200 °C. Very low interface state density (D{sub it}) ∼10{sup 11} eV{sup −1} cm{sup −2} could be achieved for the PE-ALD process at 200 °C substrate temperature after postdeposition anneal (PDA) in forming gas at 450 °C. The PDA works very effectively for both the PE-ALD and T-ALD at 200 °C substrate temperature delivering also similar values of negative fixed charge density (N{sub fix}) around −2.5 × 10{sup 12} cm{sup −2}. At the substrate temperature of 150 °C, highest N{sub fix} (−2.9 × 10{sup 12} cm{sup −2}) and moderate D{sub it} (2.7 × 10{sup 11} eV{sup −1} cm{sup −2}) values were observed. The as deposited PE-ALD layer at RT shows both low D{sub it} in the range of (1 to 3) × 10{sup 11} eV{sup −1} cm{sup −2} and low N{sub fix} (−4.4 × 10{sup 11} cm{sup −2}) at the same time. The dependencies of N{sub fix}, D{sub it}, and relative permittivity on the substrate temperatures and its adjustability are discussed.
Metal-HfO{sub 2}-Ge capacitor: Its enhanced charge trapping properties with S-treated substrate and atomic-layer-deposited HfO{sub 2} layer
The charge trapping properties of metal-HfO{sub 2}-Ge capacitor as a nonvolatile memory have been investigated with (NH{sub 4}){sub 2}S-treated Ge substrate and atomic-layer-deposited HfO{sub 2} layer. The interfacial layer generated by (NH{sub 4}){sub 2}S-treated Ge substrate reveals a trace of -S- bonding, very sharp interface edges, and smooth surface morphology. The Ru-HfO{sub 2}-Ge capacitor with (NH{sub 4}){sub 2}S-treated Ge substrate shows an enhanced interface state with little frequency dispersion, a lower leakage current, and very reliable properties with the enhanced endurance and retention than Ru-HfO{sub 2}-Ge capacitor with cyclic-cleaned Ge substrate.
Effect of substrate composition on atomic layer deposition using self-assembled monolayers as blocking layers
The authors have examined the effect of two molecules that form self-assembled monolayers (SAMs) on the subsequent growth of TaN{sub x} by atomic layer deposition (ALD) on two substrate surfaces, SiO{sub 2} and Cu. The SAMs that the authors have investigated include two vapor phase deposited, fluorinated alkyl silanes: Cl{sub 3}Si(CH{sub 2}){sub 2}(CF{sub 2}){sub 5}CF{sub 3} (FOTS) and (C{sub 2}H{sub 5}O){sub 3}Si(CH{sub 2}){sub 2}(CF{sub 2}){sub 7}CF{sub 3} (HDFTEOS). Both the SAMs themselves and the TaN{sub x} thin films, grown using Ta[N(CH{sub 3}){sub 2}]{sub 5} and NH{sub 3}, were analyzed ex situ using contact angle, spectroscopic ellipsometry, x-ray photoelectron spectroscopy (XPS), and low energy ion-scattering spectroscopy (LEISS). First, the authors find that both SAMs on SiO{sub 2} are nominally stable at T{sub s} ∼ 300 °C, the substrate temperature used for ALD, while on Cu, the authors find that HDFTEOS thermally desorbs, while FOTS is retained on the surface. The latter result reflects the difference in the head groups of these two molecules. The authors find that both SAMs strongly attenuate the ALD growth of TaN{sub x} on SiO{sub 2}, by about a factor of 10, while on Cu, the SAMs have no effect on ALD growth. Results from LEISS and XPS are decisive in determining the nature of the mechanism of growth of TaN{sub x} on all surfaces. Growth on SiO{sub 2} is 2D and approximately layer-by-layer, while on the surfaces terminated by the SAMs, it nucleates at defect sites, is islanded, and is 3D. In the latter case, our results support growth of the TaN{sub x} thin film over the SAM, with a considerable delay in formation of a continuous thin film. Growth on Cu, with or without the SAMs, is also 3D and islanded, and there is also a delay in the formation of a continuous thin film as compared to growth on SiO{sub 2}. These results highlight the power of coupling measurements from both LEISS and XPS in examinations of ultrathin films formed by ALD.
Formation and properties of the buried isolating silicon-dioxide layer in double-layer “porous silicon-on-insulator” structures
The oxidation of mesoporous silicon in a double-layer “macroporous silicon–mesoporous silicon” structure is studied. The morphology and dielectric properties of the buried insulating layer are investigated using electron microscopy, ellipsometry, and electrical measurements. Specific defects (so-called spikes) are revealed between the oxidized macropore walls in macroporous silicon and the oxidation crossing fronts in mesoporous silicon. It is found that, at an initial porosity of mesoporous silicon of 60%, three-stage thermal oxidation leads to the formation of buried silicon-dioxide layers with an electric-field breakdown strength of E{sub br} ~ 10{sup 4}–10{sup 5} V/cm. Multilayered “porous silicon-on-insulator” structures are shown to be promising for integrated chemical micro- and nanosensors.
Intrinsic Constraints on Asymmetric Turbulent Transport of Scalars Within the Constant Flux Layer of the Lower Atmosphere: CONSTANT FLUX LAYER
A widely used assumption in boundary layer meteorology is the z independence of turbulent scalar fluxes F s throughout the atmospheric surface layer, where z is the distance from the boundary. This assumption is necessary for the usage of Monin-Obukhov Similarity Theory and for the interpretation of eddy covariance measurements of F s when using them to represent emissions or uptake from the surface. It is demonstrated here that the constant flux assumption offers intrinsic constraints on the third-order turbulent transport of F s in the unstable atmospheric surface layer. When enforcing z independence of F s on multilevel F s measurements collected above different surface cover types, it is shown that increasing instability leads to a novel and universal description of (i) the imbalance between ejecting and sweeping eddy contributions to F s and (ii) the ratio formed by a dimensionless turbulent transport of Fs and a dimensionless turbulent transport of scalar variance. When combined with structural models for the turbulent transport of F s , these two findings offer a new perspective on “closing” triple moments beyond conventional gradient diffusion schemes. A practical outcome is a diagnostic of the constant flux assumption from single-level F s measurements.