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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Investigation of gate leakage mechanism in Al{sub 2}O{sub 3}/Al{sub 0.55}Ga{sub 0.45}N/GaN metal-oxide-semiconductor high-electron-mobility transistors

The mechanism of both reverse and forward gate leakage currents in Al{sub 2}O{sub 3}/Al{sub 0.55}Ga{sub 0.45}N/GaN structures was studied in this Letter by temperature-dependent current-voltage measurement. Poole–Frenkel (PF) emission, an oxygen vacancy-assisted process, was deduced as the dominant mechanism at high-temperatures (>388 K), and the leakage current at mid-temperatures (<388 K) were found greatly impacted by temperature-independent tunneling current. The reverse PF mission current in low-field, mid-field, and high-field region were related to trap states with activation energy of 0.41 eV, 0.49 eV, and 0.71 eV, respectively, and the activation energy of trap states for forward PF emission current was derived as 0.65 eV.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structural and electronic properties of free standing one-sided and two-sided hydrogenated silicene: A first principle study

We performed first-principle study of the structural and electronic properties of two-dimensional hydrogenated silicene for two configurations; one is hydrogenation along one side of silicene sheet and second is hydrogenation in both sides of silicene sheet. The one-side hydrogenated silicene is found stable at planar geometry while increased buckling of 0.725 Å is found for both-side hydrogenated silicene. The result shows that the hydrogenation occupy the extended π-bonding network of silicene, and thus it exhibits semi-conducting behaviour with a band gap of 1.77 eV and 2.19 eV for one-side hydrogenated silicene and both-side hydrogenated silicene respectively. However, both-side hydrogenated silicene of binding energy 4.56 eV is more stable than one-side hydrogenated silicene of binding energy 4.30 eV, but experimentally silicene is synthesized on substrates which interacts one side of silicene layer and only other side is available for H-atoms. Therefore, practically one-side hydrogenation is also important.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Film growth, adsorption and desorption kinetics of indigo on SiO{sub 2}

Organic dyes have recently been discovered as promising semiconducting materials, attributable to the formation of hydrogen bonds. In this work, the adsorption and desorption behavior, as well as thin film growth was studied in detail for indigo molecules on silicon dioxide with different substrate treatments. The material was evaporated onto the substrate by means of physical vapor deposition under ultra-high vacuum conditions and was subsequently studied by Thermal Desorption Spectroscopy (TDS), Auger Electron Spectroscopy, X-Ray Diffraction, and Atomic Force Microscopy. TDS revealed initially adsorbed molecules to be strongly bonded on a sputter cleaned surface. After further deposition a formation of dimers is suggested, which de-stabilizes the bonding mechanism to the substrate and leads to a weakly bonded adsorbate. The dimers are highly mobile on the surface until they get incorporated into energetically favourable three-dimensional islands in a dewetting process. The stronger bonding of molecules within those islands could be shown by a higher desorption temperature. On a carbon contaminated surface no strongly bonded molecules appeared initially, weakly bonded monomers rather rearrange into islands at a surface coverage that is equivalent to one third of a monolayer of flat-lying molecules. The sticking coefficient was found to be unity on both substrates. The desorption energies from carbon covered silicon dioxide calculated to 1.67 ± 0.05 eV for multilayer desorption from the islands and 0.84 ± 0.05 eV for monolayer desorption. Corresponding values for desorption from a sputter cleaned surface are 1.53 ± 0.05 eV for multilayer and 0.83 ± 0.05 eV for monolayer desorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

The role of the carbon-silicon complex in eliminating deep ultraviolet absorption in AlN

Co-doping AlN crystals with Si is found to suppress the unwanted 4.7 eV (265 nm) deep ultraviolet absorption associated with isolated carbon acceptors common in materials grown by physical vapor transport. Density functional theory calculations with hybrid functionals demonstrate that silicon forms a stable nearest-neighbor defect complex with carbon. This complex is predicted to absorb at 5.5 eV and emit at or above 4.3 eV. Absorption and photoluminescence measurements of co-doped samples confirm the presence of the predicted C-N-Si-Al complex absorption and emission peaks and significant reduction of the 4.7 eV absorption. Other sources of deep ultraviolet absorption in AlN are also discussed. (C) 2014 AIP Publishing LLC.

Gaddy, BE↗
DOE OSTI2014

Epitaxy of polar semiconductor Co{sub 3}O{sub 4} (110): Growth, structure, and characterization

The (110) plane of Co{sub 3}O{sub 4} spinel exhibits significantly higher rates of carbon monoxide conversion due to the presence of active Co{sup 3+} species at the surface. However, experimental studies of Co{sub 3}O{sub 4} (110) surfaces and interfaces have been limited by the difficulties in growing high-quality films. We report thin (10–250 Å) Co{sub 3}O{sub 4} films grown by molecular beam epitaxy in the polar (110) direction on MgAl{sub 2}O{sub 4} substrates. Reflection high-energy electron diffraction, atomic force microscopy, x-ray diffraction, and transmission electron microscopy measurements attest to the high quality of the as-grown films. Furthermore, we investigate the electronic structure of this material by core level and valence band x-ray photoelectron spectroscopy, and first-principles density functional theory calculations. Ellipsometry reveals a direct band gap of 0.75 eV and other interband transitions at higher energies. A valence band offset of 3.2 eV is measured for the Co{sub 3}O{sub 4}/MgAl{sub 2}O{sub 4} heterostructure. Magnetic measurements show the signature of antiferromagnetic ordering at 49 K. FTIR ellipsometry finds three infrared-active phonons between 300 and 700 cm{sup −1}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

High temperature photoelectron emission and surface photovoltage in semiconducting diamond

A non-equilibrium photovoltage is generated in semiconducting diamond at above-ambient temperatures during x-ray and UV illumination that is sensitive to surface conductivity. The H-termination of a moderately doped p-type diamond (111) surface sustains a surface photovoltage up to 700 K, while the clean (2 × 1) reconstructed surface is not as severely affected. The flat-band C 1s binding energy is determined from 300 K measurement to be 283.87 eV. The true value for the H-terminated surface, determined from high temperature measurement, is (285.2 ± 0.1) eV, corresponding to a valence band maximum lying 1.6 eV below the Fermi level. This is similar to that of the reconstructed (2 × 1) surface, although this surface shows a wider spread of binding energy between 285.2 and 285.4 eV. Photovoltage quantification and correction are enabled by real-time photoelectron spectroscopy applied during annealing cycles between 300 K and 1200 K. A model is presented that accounts for the measured surface photovoltage in terms of a temperature-dependent resistance. A large, high-temperature photovoltage that is sensitive to surface conductivity and photon flux suggests a new way to use moderately B-doped diamond in voltage-based sensing devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

The effect of polarity and surface states on the Fermi level at III-nitride surfaces

Surface states and their influence on the Fermi level at the surface of GaN and AlN are studied using x-ray photoelectron spectroscopy (XPS). The effect of polarity on surface electronic properties was studied. Accurate modeling of the valence band edge and comparison with XPS data revealed the presence of donor surface states at 1.4 eV and acceptor states at energies > 2.7 eV from the valence band in GaN. Al polar AlN showed acceptor states at energies > 3.3 eV. Density of acceptor surface states was estimated to be between 10(13) and 10(14) eV(-1) cm(-2) in both GaN and AlN. The shift in charge neutrality levels and barrier heights due to polarity and the density of surface states on AlN and GaN were estimated from XPS measurements. Theoretical modeling and comparison with XPS data implied full compensation of spontaneous polarization charge by charged surface states. Barrier height measurements also reveal a dependence on polarity with phi(metal-polar)>phi(non-polar)>phi(nitrogen-polar) suggesting that the N-polar surface is the most suitable for Ohmic contacts. (C) 2014 AIP Publishing LLC.

Reddy, P↗
DOE OSTI2014

Schottky contact by Ag on In{sub 2}O{sub 3} (111) single crystals

The barrier height of a metal-semiconductor contact was studied by means of angle-resolved photoemission spectroscopy, which was implemented through stepwise Ag deposition on the ultra-high vacuum cleaved (111) surface of melt-grown In{sub 2}O{sub 3} single crystals. A small Schottky barrier height of 0.22 ± 0.08 eV was determined by following the band bending of the valence band and core level spectra with Ag thickness and corrected for the photovoltage effect. In addition, the work function of Ag and the electron affinity of In{sub 2}O{sub 3} were measured in situ to be 4.30 ± 0.05 eV and 4.18 ± 0.06 eV, respectively. Agreement was observed when comparing the barrier height from band bending to the calculated one by applying the Schottky-Mott rule, yielding a value of 0.12 ± 0.11 eV. Due to an additionally appearing photovoltage, an explicit reference to the surface electron accumulation layer is not necessary when discussing the Schottky character of the Ag/In{sub 2}O{sub 3} contact.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Diffusion of Cd and Te adatoms on CdTe(111) surfaces: A computational study using density functional theory

CdTe is one of the most promising semiconductor for thin-film based solar cells. Here we report a computational study of Cd and Te adatom diffusion on the CdTe (111) A-type (Cd terminated) and B-type (Te terminated) surfaces and their migration paths. The atomic and electronic structure calculations are performed under the DFT formalism and climbing Nudge Elastic Band (cNEB) method has been applied to evaluate the potential barrier of the Te and Cd diffusion. In general the minimum energy site on the surface is labeled as A{sub a} site. In case of Te and Cd on B-type surface, the sub-surface site (a site just below the top surface) is very close in energy to the A site. This is responsible for the subsurface accumulation of adatoms and therefore, expected to influence the defect formation during growth. The diffusion process of adatoms is considered from A{sub a} (occupied) to A{sub a} (empty) site at the nearest distance. We have explored three possible migration paths for the adatom diffusion. The adatom surface interaction is highly dependent on the type of the surface. Typically, Te interaction with both type (5.2 eV for A-type and 3.8 eV for B-type) is stronger than Cd interactions(2.4 eV for B-type and 0.39 eV for A-type). Cd interaction with the A-type surface is very weak. The distinct behavior of the A-type and B-type surfaces perceived in our study explain the need of maintaining the A-type surface during growth for smooth and stoichiometric growth.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Comparison of single junction AlGaInP and GaInP solar cells grown by molecular beam epitaxy

We have investigated ∼2.0 eV (Al{sub x}Ga{sub 1−x}){sub 0.51}In{sub 0.49}P and ∼1.9 eV Ga{sub 0.51}In{sub 0.49}P single junction solar cells grown on both on-axis and misoriented GaAs substrates by molecular beam epitaxy (MBE). Although lattice-matched (Al{sub x}Ga{sub 1−x}){sub 0.51}In{sub 0.49}P solar cells are highly attractive for space and concentrator photovoltaics, there have been few reports on the MBE growth of such cells. In this work, we demonstrate open circuit voltages (V{sub oc}) ranging from 1.29 to 1.30 V for Ga{sub 0.51}In{sub 0.49}P cells, and 1.35–1.37 V for (Al{sub x}Ga{sub 1−x}){sub 0.51}In{sub 0.49}P cells. Growth on misoriented substrates enabled the bandgap-voltage offset (W{sub oc} = E{sub g}/q − V{sub oc}) of Ga{sub 0.51}In{sub 0.49}P cells to decrease from ∼575 mV to ∼565 mV, while that of (Al{sub x}Ga{sub 1−x}){sub 0.51}In{sub 0.49}P cells remained nearly constant at 620 mV. The constant W{sub oc} as a function of substrate offcut for (Al{sub x}Ga{sub 1−x}){sub 0.51}In{sub 0.49}P implies greater losses from non-radiative recombination compared with the Ga{sub 0.51}In{sub 0.49}P devices. In addition to larger W{sub oc} values, the (Al{sub x}Ga{sub 1−x}){sub 0.51}In{sub 0.49}P cells exhibited significantly lower internal quantum efficiency (IQE) values than Ga{sub 0.51}In{sub 0.49}P cells due to recombination at the emitter/window layer interface. A thin emitter design is experimentally shown to be highly effective in improving IQE, particularly at short wavelengths. Our work shows that with further optimization of both cell structure and growth conditions, MBE-grown (Al{sub x}Ga{sub 1−x}){sub 0.51}In{sub 0.49}P will be a promising wide-bandgap candidate material for high-efficiency, lattice-matched multi-junction solar cells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Near-infrared light absorption by polycrystalline SiSn alloys grown on insulating layers

High-Sn-content SiSn alloys are strongly desired for the next-generation near-infrared optoelectronics. A polycrystalline growth study has been conducted on amorphous SiSn layers with a Sn-content of 2%–30% deposited on either a substrate of SiO{sub 2} or SiN. Incorporating 30% Sn into Si permits the crystallization of the amorphous layers at annealing temperatures below the melting point of Sn (231.9 °C). Composition analyses indicate that approximately 20% of the Sn atoms are substituted into the Si lattice after solid-phase crystallization at 150–220 °C for 5 h. Correspondingly, the optical absorption edge is red-shifted from 1.12 eV (Si) to 0.83 eV (Si{sub 1−x}Sn{sub x} (x ≈ 0.18 ± 0.04)), and the difference between the indirect and direct band gap is significantly reduced from 3.1 eV (Si) to 0.22 eV (Si{sub 1−x}Sn{sub x} (x ≈ 0.18 ± 0.04)). These results suggest that with higher substitutional Sn content the SiSn alloys could become a direct band-gap material, which would provide benefits for Si photonics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Direct correlation and strong reduction of native point defects and microwave dielectric loss in air-annealed (Ba,Sr)TiO{sub 3}

We report on the native defect and microwave properties of 1 μm thick Ba{sub 0.50}Sr{sub 0.50}TiO{sub 3} (BST) films grown on MgO (100) substrates by molecular beam epitaxy (MBE). Depth-resolved cathodoluminescence spectroscopy (DRCLS) showed high densities of native point defects in as-deposited BST films, causing strong subgap emission between 2.0 eV and 3.0 eV due to mixed cation V{sub C} and oxygen Vo vacancies. Post growth air anneals reduce these defects with 2.2, 2.65, and 3.0 eV V{sub O} and 2.4 eV V{sub C} intensities decreasing with increasing anneal temperature and by nearly two orders of magnitude after 950 °C annealing. These low-defect annealed BST films exhibited high quality microwave properties, including room temperature interdigitated capacitor tunability of 13% under an electric bias of 40 V and tan δ of 0.002 at 10 GHz and 40 V bias. The results provide a feasible route to grow high quality BST films by MBE through post-air annealing guided by DRCLS.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Spatially indirect radiative recombination in InAlAsSb grown lattice-matched to InP by molecular beam epitaxy

A photoluminescence (PL) spectroscopy study of the bulk quaternary alloy InAlAsSb is presented. Samples were grown lattice-matched to InP by molecular beam epitaxy and two different growth temperatures of 450 °C and 325 °C were compared. Interpolated bandgap energies suggest that the development of this alloy would extend the range of available direct bandgaps attainable in materials lattice-matched to InP to energies as high as 1.81 eV. However, the peak energy of the observed PL emission is anomalously low for samples grown at both temperatures, with the 450 °C sample showing larger deviation from the expected bandgap. A fit of the integrated PL intensity (I) to an I∝P{sup k} dependence, where P is the incident power density, yields characteristic coefficients k = 1.05 and 1.18 for the 450 °C and 325 °C samples, respectively. This indicates that the PL from both samples is dominated by excitonic recombination. A blue-shift in the peak emission energy as a function of P, along with an S-shaped temperature dependence, is observed. These trends are characteristic of spatially-indirect recombination associated with compositional variations. The energy depth of the confining potential, as derived from the thermal quenching of the photoluminescence, is 0.14 eV for the 325 °C sample, which is consistent with the red-shift of the PL emission peak relative to the expected bandgap energy. This suggests that compositional variation is the primary cause of the anomalously low PL emission peak energy. The higher energy PL emission of the 325 °C sample, relative to the 450 °C sample, is consistent with a reduction of the compositional fluctuations. The lower growth temperature is therefore considered more favorable for further growth optimization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Trap states in enhancement-mode double heterostructures AlGaN/GaN high electron mobility transistors with different GaN channel layer thicknesses

This is the report on trap states in enhancement-mode AlGaN/GaN/AlGaN double heterostructures high electron mobility transistors by fluorine plasma treatment with different GaN channel layer thicknesses. Compared with the thick GaN channel layer sample, the thin one has smaller 2DEG concentration, lower electron mobility, lower saturation current, and lower peak transconductance, but it has a higher threshold voltage of 1.2 V. Deep level transient spectroscopy measurements are used to obtain the accurate capture cross section of trap states. By frequency dependent capacitance and conductance measurements, the trap state density of (1.98–2.56) × 10{sup 12 }cm{sup −2} eV{sup −1} is located at E{sub T} in a range of (0.37–0.44) eV in the thin sample, while the trap state density of (2.3–2.92) × 10{sup 12 }cm{sup −2} eV{sup −1} is located at E{sub T} in a range of (0.33–0.38) eV in the thick one. It indicates that the trap states in the thin sample are deeper than those in the thick one.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Temperature dependent electrical characterisation of Pt/HfO{sub 2}/n-GaN metal-insulator-semiconductor (MIS) Schottky diodes

This paper reports an improvement in Pt/n-GaN metal-semiconductor (MS) Schottky diode characteristics by the introduction of a layer of HfO{sub 2} (5 nm) between the metal and semiconductor interface. The resulting Pt/HfO{sub 2}/n-GaN metal-insulator-semiconductor (MIS) Schottky diode showed an increase in rectification ratio from 35.9 to 98.9(@ 2V), increase in barrier height (0.52 eV to 0.63eV) and a reduction in ideality factor (2.1 to 1.3) as compared to the MS Schottky. Epitaxial n-type GaN films of thickness 300nm were grown using plasma assisted molecular beam epitaxy (PAMBE). The crystalline and optical qualities of the films were confirmed using high resolution X-ray diffraction and photoluminescence measurements. Metal-semiconductor (Pt/n-GaN) and metal-insulator-semiconductor (Pt/HfO{sub 2}/n-GaN) Schottky diodes were fabricated. To gain further understanding of the Pt/HfO{sub 2}/GaN interface, I-V characterisation was carried out on the MIS Schottky diode over a temperature range of 150 K to 370 K. The barrier height was found to increase (0.3 eV to 0.79 eV) and the ideality factor decreased (3.6 to 1.2) with increase in temperature from 150 K to 370 K. This temperature dependence was attributed to the inhomogeneous nature of the contact and the explanation was validated by fitting the experimental data into a Gaussian distribution of barrier heights.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Influence of Ce doping on structural and photoelectric properties of CuInS{sub 2} thin films

Cerium doped CuInS{sub 2} thin films were successfully fabricated by a powder metallurgy method. X-ray diffraction and scanning electron microscope measurements showed that the as-prepared CuIn{sub 1−x}Ce{sub x}S{sub 2} samples are of good crystallinity and crystallize with chalcopyrite structure when sintering at 550 °C. The presence of Ce{sup 3+} in host material was conformed by X-ray photoelectron spectroscopy. Two subband photon absorption peaks were observed at 1710 nm (0.73 eV) and 1955 nm (0.63 eV) in the UV–Vis–NIR absorption spectrum. This behavior could suggest that an intermediate band forms in the forbidden band of CuInS{sub 2} semiconductor due to cerium incorporation. The optical bandgap of CuIn{sub 1−x}Ce{sub x}S{sub 2} films was tuned in the range of 1.38 eV to 1.23 eV with increasing cerium content. And the electrical conductivity could be improved if doped moderate cerium content, especially x = 0.1.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effect of thickness on dielectric, ferroelectric, and optical properties of Ni substituted Pb(Zr 0.2 Ti 0.8 )O 3 thin films

We report thickness dependent dielectric, ferroelectric, and optical properties of Ni substituted Pb(Zr 0.2 Ti 0.8 )O 3 thin films. The Pb(Zr 0.2 Ti 0.8 ) 0.7 0Ni 0.30 O 3-δ (PZTNi30) thin films for various thicknesses, ranging from 5 nm to 400 nm, were fabricated by pulsed laser deposition technique. Giant dielectric dispersion, low dielectric loss, large dielectric constant ~1000–1500 from 100 Hz to 100 kHz, and diffused dielectric anomaly near 570–630 K were observed in PZTNi30 thin films. These films show well saturated ferroelectric hysteresis, with large remanent polarization. It also illustrated excellent optical transparency which decreased from 82 to 72% with increasing film thickness from 5 nm to 400 nm for the probe wavelengths ranging from 200 to 1100 nm. A decrease in direct bandgap (Eg) values from 4 eV to 3.4 eV and indirect-E g values from 3.5 eV to 2.9 eV were observed for PZTNi30 thin films with increase in film thickness from 5 nm to 400 nm, respectively. The direct and indirect bandgaps were discussed in context of film thickness and grain size effects. Our investigations on optical properties of PZTNi30 thin films suggest that bandgap can be modified as a function of film thickness which may be useful for readers working to develop novel candidates for ferroelectric photovoltaic.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Si quantum dots in silicon nitride: Quantum confinement and defects

Luminescence of amorphous Si quantum dots (Si QDs) in a hydrogenated silicon nitride (SiN{sub x}:H) matrix was examined over a broad range of stoichiometries from Si{sub 3}N{sub 2.08} to Si{sub 3}N{sub 4.14}, to optimize light emission. Plasma-enhanced chemical vapor deposition was used to deposit hydrogenated SiN{sub x} films with excess Si on Si (001) substrates, with stoichiometry controlled by variation of the gas flow rates of SiH{sub 4} and NH{sub 3} gases. The compositional and optical properties were analyzed by Rutherford backscattering spectroscopy, elastic recoil detection, spectroscopic ellipsometry, photoluminescence (PL), time-resolved PL, and energy-filtered transmission electron microscopy. Ultraviolet-laser-excited PL spectra show multiple emission bands from 400 nm (3.1 eV) to 850 nm (1.45 eV) for different Si{sub 3}N{sub x} compositions. There is a red-shift of the measured peaks from ∼2.3 eV to ∼1.45 eV as Si content increases, which provides evidence for quantum confinement. Higher N content samples show additional peaks in their PL spectra at higher energies, which we attribute to defects. We observed three different ranges of composition where Tauc band gaps, PL, and PL lifetimes change systematically. There is an interesting interplay of defect luminescence and, possibly, small Si QD luminescence observed in the intermediate range of compositions (∼Si{sub 3}N{sub 3.15}) in which the maximum of light emission is observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗