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At least 1,297 records · Page 72

Metalorganic chemical vapor deposition growth of high-mobility AlGaN/AlN/GaN heterostructures on GaN templates and native GaN substrates

Severe surface decomposition of semi-insulating (SI) GaN templates occurred in high-temperature H{sub 2} atmosphere prior to epitaxial growth in a metalorganic chemical vapor deposition system. A two-step heating process with a surface stabilization technique was developed to preserve the GaN template surface. Utilizing the optimized heating process, a high two-dimensional electron gas mobility ∼2000 cm{sup 2}/V·s was obtained in a thin AlGaN/AlN/GaN heterostructure with an only 100-nm-thick GaN spacer layer homoepitaxially grown on the GaN template. This technique was also demonstrated viable for native GaN substrates to stabilize the surface facilitating two-dimensional growth of GaN layers. Very high residual silicon and oxygen concentrations were found up to ∼1 × 10{sup 20 }cm{sup −3} at the interface between the GaN epilayer and the native GaN substrate. Capacitance-voltage measurements confirmed that the residual carbon doping controlled by growth conditions of the GaN epilayer can be used to successfully compensate the donor-like impurities. State-of-the-art structural properties of a high-mobility AlGaN/AlN/GaN heterostructure was then realized on a 1 × 1 cm{sup 2} SI native GaN substrate; the full width at half maximum of the X-ray rocking curves of the GaN (002) and (102) peaks are only 21 and 14 arc sec, respectively. The surface morphology of the heterostructure shows uniform parallel bilayer steps, and no morphological defects were noticeable over the entire epi-wafer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ultra-high mobility two-dimensional electron gas in a SiGe/Si/SiGe quantum well

We report the observation of an electron gas in a SiGe/Si/SiGe quantum well with maximum mobility up to 240 m{sup 2}/Vs, which is noticeably higher than previously reported results in silicon-based structures. Using SiO, rather than Al{sub 2}O{sub 3}, as an insulator, we obtain strongly reduced threshold voltages close to zero. In addition to the predominantly small-angle scattering well known in the high-mobility heterostructures, the observed linear temperature dependence of the conductivity reveals the presence of a short-range random potential.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Stress analysis for wall structure in mobile hot cell design

Malaysian Nuclear Agency is developing a Mobile Hot Cell (MHC) in order to handle and manage Spent High Activity Radioactive Sources (SHARS) such as teletherapy heads and irradiators. At present, there are only two units of MHC in the world, in South Africa and China. Malaysian Mobile Hot cell is developed by Malaysian Nuclear Agency with the assistance of IAEA expert, based on the design of South Africa and China, but with improved features. Stress analysis has been performed on the design in order to fulfil the safety requirement in operation of MHC. This paper discusses the loading analysis effect from the sand to the MHC wall structure.

07 ISOTOPE AND RADIATION SOURCES↗

Molecular mobility in glassy dispersions

Dielectric spectroscopy was used to characterize the structural relaxation in pharmaceutical dispersions containing nifedipine (NIF) and either poly(vinyl) pyrrolidone (PVP) or hydroxypropyl methylcellulose acetate succinate (HPMCAS). The shape of the dielectric response (permittivity versus log time) curve was observed to be independent of temperature. Thus, for the pure NIF as well as the dispersions, the validity of the time-temperature superposition principle was established. Furthermore, though the shape of the full dielectric response varied with polymer concentration, the regime related to the α- or structural relaxation was found to superimpose for the dispersions, though not with the response of the NIF itself. Hence, there is a limited time-temperature-concentration superposition for these systems as well. Therefore, in this polymer concentration range, calculation of long relaxation times in these glass-forming systems becomes possible. We found that strong drug-polymer hydrogen bonding interactions improved the physical stability (i.e., delayed crystallization) by reducing the molecular mobility. The strength of hydrogen bonding, structural relaxation time, and crystallization followed the order: NIF$-$PV P>NIF$-$HPMCAS>NIF. With an increase in polymer concentration, the relaxation times were longer indicating a decrease in molecular mobility. The temperature dependence of relaxation time, in other words fragility, was independent of polymer concentration. This is the first application of the superposition principle to characterize structural relaxation in glassy pharmaceutical dispersions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Increased mobility and on/off ratio in organic field-effect transistors using low-cost guanine-pentacene multilayers

Layer-by-layer deposited guanine and pentacene in organic field-effect transistors (OFETs) is introduced. Through adjusting the layer thickness ratio of guanine and pentacene, the tradeoff of two electronic parameters in OFETs, charge carrier mobility and current on/off ratio, was controlled. The charge mobility was enhanced by depositing pentacene over and between guanine layers and by increasing the proportion of pentacene in the layer-by-layer system, while the current on/off ratio was increased via the decreased off current induced by the guanine layers. The tunable device performance was mainly ascribed to the trap and dopant neutralizing properties of the guanine layers, which would decrease the density of free hydroxyl groups in the OFETs. Furthermore, the cost of the devices could be reduced remarkably via the adoption of low-cost guanine.

42 ENGINEERING↗

Time and frequency dependent mechanical properties of LaCoO 3 -based perovskites: Neutron diffraction and domain mobility

The study of domain wall movement and texture formation in ferroelastic LaCoO 3 perovskite under constant applied compressive stress has been performed using in situ neutron diffraction. Additionally, it was established that under constant applied compressive stress the domain walls show mobility that may lead both to the shrinkage (creep strain) and to the expansion (negative creep strain) of LaCoO 3 perovskite. The domain wall movement and texture formation can be explained by the availability, mobility, and interaction of twins, stacking faults, antiphase boundaries, dislocations, and point defects, such as oxygen vacancies and their complexes as well as impurity atoms. Lastly, the equation of motion was used to describe the possible mechanisms of domain wall movement under applied stress, and it was determined that the available solutions of this equation allow both for the shrinkage (creep strain) and for the expansion (negative creep strain) of LaCoO 3 perovskite to occur.

36 MATERIALS SCIENCE↗

Vibrational and electron-phonon coupling properties of $β$-Ga 2 O 3 from first-principles calculations: Impact on the mobility and breakdown field

The wide band gap semiconductor $β$-Ga 2 O 3 shows promise for applications in high-power and high-temperature electronics. The phonons of $β$-Ga 2 O 3 play a crucial role in determining its important material characteristics for these applications such as its thermal transport, carrier mobility, and breakdown voltage. In this work, we apply predictive calculations based on density functional theory and density functional perturbation theory to understand the vibrational properties, phonon-phonon interactions, and electron-phonon coupling of $β$-Ga 2 O 3 . We calculate the directionally dependent phonon dispersion, including the effects of LO-TO splitting and isotope substitution, and quantify the frequencies of the infrared and Raman-active modes, the sound velocities, and the heat capacity of the material. Our calculated optical-mode Grüneisen parameters reflect the anharmonicity of the monoclinic crystal structure of $β$-Ga 2 O 3 and help explain its low thermal conductivity. We also evaluate the electron-phonon coupling matrix elements for the lowest conduction band to determine the phonon mode that limits the mobility at room temperature, which we identified as a polar-optical mode with a phonon energy of 29 meV. We further apply these matrix elements to estimate the breakdown field of $β$-Ga 2 O 3 . Our theoretical characterization of the vibrational properties of $β$-Ga 2 O 3 highlights its viability for high-power electronic applications and provides a path for experimental development of materials for improved performance in devices.

36 MATERIALS SCIENCE↗

High-mobility indirect excitons in wide single quantum well

Indirect excitons (IXs) are bound pairs of electrons and holes confined in spatially separated layers. We present wide single quantum well (WSQW) heterostructures with high IX mobility, spectrally narrow IX emission, voltage-controllable IX energy, and long and voltage-controllable IX lifetime. This set of properties shows that WSQW heterostructures provide an advanced platform both for studying basic properties of IXs in low-disorder environments and for the development of high-mobility excitonic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Enhancing the electron mobility in Si-doped (010) β-Ga 2 O 3 films with low-temperature buffer layers

We demonstrate a new substrate cleaning and buffer growth scheme in β-Ga 2 O 3 epitaxial thin films using metal–organic vapor phase epitaxy (MOVPE). For the channel structure, a low-temperature (LT, 600 °C) un-doped Ga 2 O 3 buffer was grown, followed by a transition layer to a high-temperature (HT, 810 °C) Si-doped Ga 2 O 3 channel layers without growth interruption. The (010) Ga 2 O 3 Fe-doped substrate cleaning uses solvent cleaning, followed by additional hydrofluoric acid (49% in water) treatment for 30 min before the epilayer growth. This step is shown to compensate the parasitic Si channel at the epilayer–substrate interface that originates from the substrate polishing process or contamination from the ambient. From secondary ion mass spectroscopy (SIMS) analysis, the Si peak atomic density at the substrate interface is found to be several times lower than the Fe atomic density in the substrate—indicating full compensation. The elimination of the parasitic electron channel at the epi–substrate interface was also verified by electrical (capacitance–voltage profiling) measurements. In the LT-grown (600 °C) buffer layers, it is seen that the Fe forward decay tail from the substrate is very sharp, with a decay rate of ∼9 nm/dec. X-ray off-axis rocking curve ω-scans show very narrow full width at half maximum (FWHM) values, similar to the as-received substrates. These channels show record high electron mobility in the range of 196–85 cm 2 /V⋅s in unintentionally doped and Si-doped films in the doping range of 2 × 10 16 –1 × 10 20 cm −3 . Si delta-doped channels were also grown utilizing this substrate cleaning and the hybrid LT buffers. Record high electron Hall mobility of 110 cm 2 /V⋅s was measured for sheet charge density of 9.2 × 10 12 cm −2 . This substrate cleaning, combined with the LT buffer scheme, shows the potential of designing Si-doped β-Ga 2 O 3 channels with exceptional transport properties for high-performance Ga 2 O 3 -based electron devices.

Bhattacharyya, Arkka↗

Low temperature recovery of OFF-state stress induced degradation of AlGaN/GaN high electron mobility transistors

Thermal annealing is a widely used strategy to enhance semiconductor device performance. However, the process is complex for multi-material multi-layered semiconductor devices, where thermoelastic stresses from lattice constant and thermal expansion coefficient mismatch may create more defects than those annealed. We propose an alternate low temperature annealing technique, which utilizes the electron wind force (EWF) induced by small duty cycle high density pulsed current. To demonstrate its effectiveness, we intentionally degrade AlGaN/GaN high electron mobility transistors (HEMTs) with accelerated OFF-state stressing to increase ON-resistance ∼182.08% and reduce drain saturation current ∼85.82% of pristine condition at a gate voltage of 0 V. We then performed the EWF annealing to recover the corresponding values back to ∼122.21% and ∼93.10%, respectively. The peak transconductance, degraded to ∼76.58% of pristine at the drain voltage of 3 V, was also recovered back to ∼92.38%. This recovery of previously degraded transport properties is attributed to approximately 80% recovery of carrier mobility, which occurs during EWF annealing. We performed synchrotron differential aperture x-ray microscopy measurements to correlate these annealing effects with the lattice structural changes. We found a reduction of lattice plane spacing of (001) planes and stress within the GaN layer under the gate region after EWF annealing, suggesting a corresponding decrease in defect density. Application of this low-temperature annealing technique for in-operando recovery of degraded electronic devices is discussed.

Physics↗

Al-rich AlGaN high electron mobility transistor gate metallization study up to 600 °C in air

Here we report a comparative study of three rectifying gate metals, W, Pd, and Pt/Au, on ultrawide bandgap Al 0.86 Ga 0.14 N barrier/Al 0.7 Ga 0.3 N channel high electron mobility transistors for use in extreme temperatures. The transistors were electrically characterized from 30 to 600 °C in air. Of the three gate metals, the Pt/Au stack exhibited the smallest change in threshold voltage (0.15 V, or 9% change between the 30 and 600 °C values, and a maximum change of 42%), the highest on/off current ratio (1.5 × 10 6 ) at 600 °C, and a modest forward gate leakage current (0.39 mA/mm for a 3,V gate bias) at 600 °C. These favorable results showcase AlGaN channel high electron mobility transistors' ability to operate in extreme temperature environments.

36 MATERIALS SCIENCE↗

Perpendicular crossing chains enable high mobility in a noncrystalline conjugated polymer

The nature of interchain π-system contacts, and their relationship to hole transport, are elucidated for the high-mobility, noncrystalline conjugated polymer C16-IDTBT by the application of scanning tunneling microscopy, molecular dynamics, and quantum chemical calculations. The microstructure is shown to favor an unusual packing motif in which paired chains cross-over one another at near-perpendicular angles. By linking to mesoscale microstructural features, revealed by coarse-grained molecular dynamics and previous studies, and performing simulations of charge transport, it is demonstrated that the high mobility of C16-IDTBT can be explained by the promotion of a highly interconnected transport network, stemming from the adoption of perpendicular contacts at the nanoscale, in combination with fast intrachain transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Role of mechanical stress localizations on the radiation hardness of AlGaN/GaN high electron mobility transistors

Multi-material, multi-layered systems such as AlGaN/GaN high electron mobility transistors (HEMTs) contain residual mechanical stresses that arise from sharp contrasts in device geometry and materials parameters. These stresses, which can be either tensile or compressive, are difficult to detect and eliminate because of their highly localized nature. We propose that their high-stored internal energy makes potential sites for defect nucleation sites under radiation, particularly if their locations coincide with the electrically sensitive regions of a transistor. In this study, we validate this hypothesis with molecular dynamic simulation and experiments exposing both pristine and annealed HEMTS to 2.8 MeV Au +3 irradiation. Our unique annealing process uses mechanical momentum of electrons, also known as the electron wind force (EWF) to mitigate the residual stress at room temperature. High-resolution transmission electron microscopy and cathodoluminescence spectra reveal the reduction of point defects and dislocations near the two-dimensional electron gas region of EWF-treated devices compared to pristine devices. The EWF-treated HEMTs showed relatively higher resilience with approximately 10% less degradation of drain saturation current and ON-resistance and 5% less degradation of peak transconductance. Both mobility and carrier concentration of the EWF-treated devices were less impacted compared to the pristine devices. Our results suggest that the lower density of nanoscale stress localization contributed to the improved radiation tolerance of the EWF-treated devices. Intriguingly, the EWF is found to modulate the defect distribution by moving the defects to electrically less sensitive regions in the form of dislocation networks, which act as sinks for the radiation induced defects and this assisted faster dynamic annealing.

AlGaN/GaN HEMTs↗

LC-IMS-MS Feature Finder. Detecting Multidimensional Liquid Chromatography, Ion Mobility, and Mass Spectrometry Features in Complex Datasets

We introduce a command line software application LC-IMS-MS Feature Finder that searches for molecular ion signatures in multidimensional liquid chromatography-ion mobility spectrometry-mass spectrometry (LC-IMS-MS) data by clustering deisotoped peaks with similar monoisotopic mass, charge state, LC elution time, and ion mobility drift time values. The software application includes an algorithm for detecting and quantifying co-eluting chemical species, including species that exist in multiple conformations that may have been separated in the IMS dimension.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene

Organic molecular crystals are expected to feature appreciable electron-phonon interactions that influence their electronic properties at zero and finite temperature. Here, we report first-principles calculations and an analysis of the electron-phonon self-energy in naphthalene crystals. We compute the zero-point renormalization and temperature dependence of the fundamental band gap, and the resulting scattering lifetimes of electronic states near the valence- and conduction-band edges employing density functional theory. Further, our calculated phonon renormalization of the GW-corrected quasiparticle band structure predicts a fundamental band gap of 5 eV for naphthalene at room temperature, in good agreement with experiments. From our calculated phonon-induced electron lifetimes, we obtain the temperature-dependent mobilities of electrons and holes in good agreement with experimental measurements at room temperature. Finally, we show that an approximate energy self-consistent computational scheme for the electron-phonon self-energy leads to the prediction of strong satellite bands in the electronic band structure. We find that a single calculation of the self-energy can reproduce the self-consistent results of the band gap renormalization and electrical mobilities for naphthalene, provided that the on-the-mass-shell approximation is used, i.e., if the self-energy is evaluated at the bare eigenvalues.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Role of phonon softening induced by anisotropic fluctuations in the enhanced mobility at free glassy surfaces

The surface of a glassy material exhibits enhanced mobility compared to the bulk counterpart, however the underlying mechanism for this remains elusive. Herein, we present studies of the dynamical properties of a prototypical glass-forming metallic liquid Zr 50 Cu 50 as a function of the distance from both the free surface and pinned surface using molecular dynamics simulations. We found that the surface mobility increases gradually on approaching the free surface, with a concomitant increase of the non-Gaussianity. The phonon density of states at the free surface exhibits lower characteristic frequencies than in the bulk and pinned surface. These findings suggest phonon softening caused by anisotropic fluctuations at free surfaces as an alternative physical mechanism leading to the enhanced dynamics at free glassy surfaces from the perspective of collective excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ab initio calculation of carrier mobility in semiconductors including ionized-impurity scattering

The past decade has seen the emergence of ab initio computational methods for calculating phonon-limited carrier mobilities in semiconductors with predictive accuracy. More realistic calculations ought to take into account additional scattering mechanisms such as, for example, impurity and grain-boundary scattering. Here, in this paper, we investigate the effect of ionized-impurity scattering on the carrier mobility. We model the analytical impurity potential parameterized from first principles by a collection of randomly distributed Coulomb scattering centers, and we include this relaxation channel into the ab initio Boltzmann transport equation, as implemented in the EPW code. We demonstrate this methodology by considering silicon, silicon carbide, and gallium phosphide, for which detailed experimental data are available. Our calculations agree well with experiments over a broad range of temperatures and impurity concentrations. For each compound investigated here, we compare the relative importance of electron-phonon scattering and ionized-impurity scattering, and we critically assess the reliability of Matthiessen's rule. We also show that an accurate description of dielectric screening and carrier effective masses can improve quantitative agreement with experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ab initio electron mobility and polar phonon scattering in GaAs

In polar semiconductors and oxides, the long-range nature of the electron-phonon (e- ph) interaction is a bottleneck to compute charge transport from first principles. In this work, we develop an efficient ab initio scheme to compute and converge the e- ph relaxation times (RTs) and electron mobility in polar materials. We apply our approach to GaAs, where by using the Boltzmann equation with state-dependent RTs, we compute mobilities in excellent agreement with experiment at 250 – 500 K . The e- ph RTs and the phonon contributions to intravalley and intervalley e- ph scattering are also analyzed. Our work enables efficient ab initio computations of transport and carrier dynamics in polar materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗