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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Synthesis of metal silicide at metal/silicon oxide interface by electronic excitation

The synthesis of metal silicide at the metal/silicon oxide interface by electronic excitation was investigated using transmission electron microscopy. A platinum silicide, α-Pt{sub 2}Si, was successfully formed at the platinum/silicon oxide interface under 25–200 keV electron irradiation. This is of interest since any platinum silicide was not formed at the platinum/silicon oxide interface by simple thermal annealing under no-electron-irradiation conditions. From the electron energy dependence of the cross section for the initiation of the silicide formation, it is clarified that the silicide formation under electron irradiation was not due to a knock-on atom-displacement process, but a process induced by electronic excitation. It is suggested that a mechanism related to the Knotek and Feibelman mechanism may play an important role in silicide formation within the solid. Similar silicide formation was also observed at the palladium/silicon oxide and nickel/silicon oxide interfaces, indicating a wide generality of the silicide formation by electronic excitation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Chemical mixing at “Al on Fe” and “Fe on Al” interfaces

The chemical mixing at the “Al on Fe” and “Fe on Al” interfaces was studied by molecular dynamics simulations of the layer growth and by {sup 57}Fe Mössbauer spectroscopy. The concentration distribution along the layer growth direction was calculated for different crystallographic orientations, and atomically sharp “Al on Fe” interfaces were found when Al grows over (001) and (110) oriented Fe layers. The Al/Fe(111) interface is also narrow as compared to the intermixing found at the “Fe on Al” interfaces for any orientation. Conversion electron Mössbauer measurements of trilayers—Al/{sup 57}Fe/Al and Al/{sup 57}Fe/Ag grown simultaneously over Si(111) substrate by vacuum evaporation—support the results of the molecular dynamics calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effect of dielectric stoichiometry and interface chemical state on band alignment between tantalum oxide and platinum

The tantalum oxide–platinum interface electronic properties determined by X-ray photoelectron spectroscopy are found to depend on the dielectric stoichiometry and platinum chemical state. We demonstrate the slow charging of the tantalum oxide in cases of Ta{sub 2}O{sub 5}/Pt and Ta{sub 2}O{sub 5−y}/Pt interfaces under the X-ray irradiation. This behavior is proposed to be related to the charge accumulation at oxygen vacancies induced traps. Based on the proposed methodology, we define the intrinsic conductive band offset (CBO) ∼1.3 eV (both for Ta{sub 2}O{sub 5}/Pt and Ta{sub 2}O{sub 5−y}/Pt) and CBO after the full saturation of the traps charging ∼0.5 eV, while the last one defines the energy position of charged traps below the bottom of conduction band. We demonstrate also the pining at the both Ta{sub 2}O{sub 5}/Pt and Ta{sub 2}O{sub 5−y}/Pt interfaces even in the “intrinsic” state, apparently induced by the presence of additional interfacial states. No shifts of Ta4f line and band alignment in over stoichiometric Ta{sub 2}O{sub 5+x}/Pt structure during X-ray irradiation, as well as the absence of pinning, resulting in increase of CBO up to 2.3 eV are found. This behavior is related to the PtO{sub 2} interfacing layer formation at Ta{sub 2}O{sub 5+x}/Pt, blocking the charging of the surface states and associated dipole formation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

DLTS analysis of amphoteric interface defects in high-TiO{sub 2} MOS structures prepared by sol-gel spin-coating

High-κ TiO{sub 2} thin films have been fabricated from a facile, combined sol – gel spin – coating technique on p and n type silicon substrate. XRD and Raman studies headed the existence of anatase phase of TiO{sub 2} with a small grain size of 18 nm. The refractive index ‘n’ quantified from ellipsometry is 2.41. AFM studies suggest a high quality, pore free films with a fairly small surface roughness of 6 Å. The presence of Ti in its tetravalent state is confirmed by XPS analysis. The defect parameters observed at the interface of Si/TiO{sub 2} were studied by capacitance – voltage (C – V) and deep level transient spectroscopy (DLTS). The flat – band voltage (V{sub FB}) and the density of slow interface states estimated are – 0.9, – 0.44 V and 5.24×10{sup 10}, 1.03×10{sup 11} cm{sup −2}; for the NMOS and PMOS capacitors, respectively. The activation energies, interface state densities and capture cross – sections measured by DLTS are E{sub V} + 0.30, E{sub C} – 0.21 eV; 8.73×10{sup 11}, 6.41×10{sup 11} eV{sup −1} cm{sup −2} and 5.8×10{sup −23}, 8.11×10{sup −23} cm{sup 2} for the NMOS and PMOS structures, respectively. A low value of interface state density in both P- and N-MOS structures makes it a suitable alternate dielectric layer for CMOS applications. And also very low value of capture cross section for both the carriers due to the amphoteric nature of defect indicates that the traps are not aggressive recombination centers and possibly can not contribute to the device operation to a large extent.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Band alignment and chemical bonding at the GaAs/Al{sub 2}O{sub 3} interface: A hybrid functional study

The band alignment at the interface between GaAs and amorphous Al{sub 2}O{sub 3} is studied through the use of hybrid functionals. For the oxide component, a disordered model is generated through density-functional molecular dynamics. The achieved structure shows good agreement with the experimental characterization. The potential line-up across the interface is obtained for two atomistic GaAs/Al{sub 2}O{sub 3} interface models, which differ by the GaAs substrate termination. The calculated valence band offset amounts to 3.9 eV for an interface characterized by the occurrence of Ga–O bonds as dominant chemical bonding, favoring the high-energy side in the range of experimental values (2.6–3.8 eV). The effect of As antisite and As–As dimer defects on the band alignment is shown to be negligible.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Nitride passivation of the interface between high-k dielectrics and SiGe

In-situ direct ammonia (NH{sub 3}) plasma nitridation has been used to passivate the Al{sub 2}O{sub 3}/SiGe interfaces with Si nitride and oxynitride. X-ray photoelectron spectroscopy of the buried Al{sub 2}O{sub 3}/SiGe interface shows that NH{sub 3} plasma pre-treatment should be performed at high temperatures (300 °C) to fully prevent Ge nitride and oxynitride formation at the interface and Ge out-diffusion into the oxide. C-V and I-V spectroscopy results show a lower density of interface traps and smaller gate leakage for samples with plasma nitridation at 300 °C.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Surface and interface states of Bi{sub 2}Se{sub 3} thin films investigated by optical second-harmonic generation and terahertz emission

We investigate the surface and interface states of Bi{sub 2}Se{sub 3} thin films by using the second-harmonic generation technique. Distinct from the surface of bulk crystals, the film surface and interface show the isotropic azimuth dependence of second-harmonic intensity, which is attributed to the formation of randomly oriented domains on the in-plane. Based on the nonlinear susceptibility deduced from the model fitting, we determine that the surface band bending induced in a space charge region occurs more strongly at the film interface facing the Al{sub 2}O{sub 3} substrate or capping layer compared with the interface facing the air. We demonstrate that distinct behavior of the terahertz electric field emitted from the samples can provide further information about the surface electronic state of Bi{sub 2}Se{sub 3}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Interface electronic properties of co-evaporated MAPbI{sub 3} on ZnO(0001): In situ X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy study

In this work, the interface electronic properties of ZnO(0001)/CH{sub 3}NH{sub 3}PbI{sub 3} were investigated by both X-ray and ultraviolet photoelectron spectroscopy. The CH{sub 3}NH{sub 3}PbI{sub 3} thin films were grown on single crystalline ZnO(0001) substrate in situ by co-evaporation of PbI{sub 2} and CH{sub 3}NH{sub 3}I at room temperature with various thickness from 1.5 nm to 190 nm. It was found that the conduction band minimum of ZnO lies 0.3 eV below that of CH{sub 3}NH{sub 3}PbI{sub 3}, while the valence band maximum of ZnO lies 2.1 eV below that of CH{sub 3}NH{sub 3}PbI{sub 3}, implying that the electrons can be effectively transported from CH{sub 3}NH{sub 3}PbI{sub 3} to ZnO, and the holes can be blocked in the same time. A PbI{sub 2} rich layer was initially formed at the interface of ZnO(0001)/CH{sub 3}NH{sub 3}PbI{sub 3} during the growth. As a consequence, an interface barrier was built up which may prevent the electron transport at the interface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Electron-irradiation-induced crystallization at metallic amorphous/silicon oxide interfaces caused by electronic excitation

Irradiation-induced crystallization of an amorphous phase was stimulated at a Pd-Si amorphous/silicon oxide (a(Pd-Si)/SiO{sub x}) interface at 298 K by electron irradiation at acceleration voltages ranging between 25 kV and 200 kV. Under irradiation, a Pd-Si amorphous phase was initially formed at the crystalline face-centered cubic palladium/silicon oxide (Pd/SiO{sub x}) interface, followed by the formation of a Pd{sub 2}Si intermetallic compound through irradiation-induced crystallization. The irradiation-induced crystallization can be considered to be stimulated not by defect introduction through the electron knock-on effects and electron-beam heating, but by the electronic excitation mechanism. The observed irradiation-induced structural change at the a(Pd-Si)/SiO{sub x} and Pd/SiO{sub x} interfaces indicates multiple structural modifications at the metal/silicon oxide interfaces through electronic excitation induced by the electron-beam processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Silicon/HfO{sub 2} interface: Effects of gamma irradiation

Quality of MOS devices is a strong function of substrate and oxide interface. In this work we have studied how gamma photon irradiation affects the interface of a 13 nm thick, atomic layer deposited hafnium dioxide deposited on silicon wafer. CV and GV measurements have been done for pristine and irradiated samples to quantify the effect of gamma photon irradiation. Gamma photon irradiation not only introduces positive charge in the oxide and at the interface of Si/HfO{sub 2} interface but also induce phase change of oxide layer. Maximum oxide capacitances are affected by gamma photon irradiation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Structure and chemistry of passivated SiC/SiO{sub 2} interfaces

Here, we report on the chemistry and structure of 4H-SiC/SiO{sub 2} interfaces passivated either by nitric oxide annealing or Ba deposition. Using aberration corrected scanning transmission electron microscopy and spectroscopy, we find that Ba and N remain localized at SiC/SiO{sub 2} interface after processing. Further, we find that the passivating species can introduce significant changes to the near-interface atomic structure of SiC. Specifically, we quantify significant strain for nitric oxide annealed sample where Si dangling bonds are capped by N. In contrast, strain is not observed at the interface of the Ba treated samples. Finally, we place these results in the context of field effect mobility.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Exploring interface morphology of a deeply buried layer in periodic multilayer

Long-term durability of a thin film device is strongly correlated with the nature of interface structure associated between different constituent layers. Synthetic periodic multilayer structures are primarily employed as artificial X-ray Bragg reflectors in many applications, and their reflection efficiency is predominantly dictated by the nature of the buried interfaces between the different layers. Herein, we demonstrate the applicability of the combined analysis approach of the X-ray reflectivity and grazing incidence X-ray fluorescence measurements for the reliable and precise determination of a buried interface structure inside periodic X-ray multilayer structures. X-ray standing wave field (XSW) generated under Bragg reflection condition is used to probe the different constituent layers of the W- B{sub 4}C multilayer structure at 10 keV and 12 keV incident X-ray energies. Our results show that the XSW assisted fluorescence measurements are markedly sensitive to the location and interface morphology of a buried layer structure inside a periodic multilayer structure. The cross sectional transmission electron microscopy results obtained on the W-B{sub 4}C multilayer structure provide a deeper look on the overall reliability and accuracy of the XSW method. The method described here would also be applicable for nondestructive characterization of a wide range of thin film based semiconductor and optical devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Coherent interface structures and intergrain Josephson coupling in dense MgO/Mg{sub 2}Si/MgB{sub 2} nanocomposites

Many efforts are under way to control the structure of heterointerfaces in nanostructured composite materials for designing functionality and engineering application. However, the fabrication of high-quality heterointerfaces is challenging because the crystal/crystal interface is usually the most defective part of the nanocomposite materials. In this work, we show that fully dense insulator (MgO)/semiconductor(Mg{sub 2}Si)/superconductor(MgB{sub 2}) nanocomposites with atomically smooth and continuous interfaces, including epitaxial-like MgO/Mg{sub 2}Si interfaces, are obtained by solid phase reaction between metallic magnesium and a borosilicate glass. The resulting nanocomposites exhibit a semiconductor-superconducting transition at 36 K owing to the MgB{sub 2} nanograins surrounded by the MgO/Mg{sub 2}Si matrix. This transition is followed by the intergrain phase-lock transition at ∼24 K due to the construction of Josephson-coupled network, eventually leading to a near-zero resistance state at 17 K. The method not only provides a simple process to fabricate dense nanocomposites with high-quality interfaces, but also enables to investigate the electric and magnetic properties of embedded superconducting nanograins with good intergrain coupling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Catastrophic degradation of the interface of epitaxial silicon carbide on silicon at high temperatures

Epitaxial cubic silicon carbide on silicon is of high potential technological relevance for the integration of a wide range of applications and materials with silicon technologies, such as micro electro mechanical systems, wide-bandgap electronics, and graphene. The hetero-epitaxial system engenders mechanical stresses at least up to a GPa, pressures making it extremely challenging to maintain the integrity of the silicon carbide/silicon interface. In this work, we investigate the stability of said interface and we find that high temperature annealing leads to a loss of integrity. High–resolution transmission electron microscopy analysis shows a morphologically degraded SiC/Si interface, while mechanical stress measurements indicate considerable relaxation of the interfacial stress. From an electrical point of view, the diode behaviour of the initial p-Si/n-SiC junction is catastrophically lost due to considerable inter-diffusion of atoms and charges across the interface upon annealing. Temperature dependent transport measurements confirm a severe electrical shorting of the epitaxial silicon carbide to the underlying substrate, indicating vast predominance of the silicon carriers in lateral transport above 25 K. This finding has crucial consequences on the integration of epitaxial silicon carbide on silicon and its potential applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Electric field control of the γ-Al{sub 2}O{sub 3}/SrTiO{sub 3} interface conductivity at room temperature

Controlling interfaces using electric fields is at the heart of modern electronics. The discovery of the conducting interface between the two insulating oxides LaAlO{sub 3} (LAO) and SrTiO{sub 3} (STO) has led to a number of interesting electric field-dependent phenomena. Recently, it was shown that replacing LAO with a spinel γ-Al{sub 2}O{sub 3} (GAO) allows a good pseudo-epitaxial film growth and high electron mobility at low temperatures. Here, we show that the GAO/STO interface resistance, similar to LAO/STO, can be tuned by orders of magnitude at room temperature using the electric field of a backgate. The resistance change is non-volatile, bipolar, and can be tuned continuously rather than being a simple on/off switch. Exposure to light significantly changes the capabilities to tune the interface resistance. High- and low-resistive states are obtained by annihilation and creation, respectively, of free n-type carriers, and we speculate that electromigration of oxygen vacancies is the origin of the tunability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Effects of antimony (Sb) on electron trapping near SiO{sub 2}/4H-SiC interfaces

To investigate the mechanism by which Sb at the SiO{sub 2}/SiC interface improves the channel mobility of 4H-SiC MOSFETs, 1 MHz capacitance measurements and constant capacitance deep level transient spectroscopy (CCDLTS) measurements were performed on Sb-implanted 4H-SiC MOS capacitors. The measurements reveal a significant concentration of Sb donors near the SiO{sub 2}/SiC interface. Two Sb donor related CCDLTS peaks corresponding to shallow energy levels in SiC were observed close to the SiO{sub 2}/SiC interface. Furthermore, CCDLTS measurements show that the same type of near-interface traps found in conventional dry oxide or NO-annealed capacitors are present in the Sb implanted samples. These are O1 traps, suggested to be carbon dimers substituted for O dimers in SiO{sub 2}, and O2 traps, suggested to be interstitial Si in SiO{sub 2}. However, electron trapping is reduced by a factor of ∼2 in Sb-implanted samples compared with samples with no Sb, primarily at energy levels within 0.2 eV of the SiC conduction band edge. This trap passivation effect is relatively small compared with the Sb-induced counter-doping effect on the MOSFET channel surface, which results in improved channel transport.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Role of composition and structure on the properties of metal/multifunctional ceramic interfaces

The formation of intermetallic secondary phases, such as Pt{sub 3}Pb, has been observed experimentally at PbTiO{sub 3}/Pt and Pb(Zr,Ti)O{sub 3}/Pt, or PZT/Pt, interfaces. Density functional theory calculations are used here to calculate the work of adhesion of these interfacial systems with and without the secondary intermetallic phase. The charge density maps of the interfaces reveal the electronic interactions at the interface and the impact of the secondary phase. In addition, Bader charge analysis provides a quantitative assessment of electron transfer from the perovskites to the Pt. Analysis of the band diagrams indicates an increase of the potential barrier associated with electron transfer due to the formation of the Pt{sub 3}Pb at PZT/Pt interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Carrier collection losses in interface passivated amorphous silicon thin-film solar cells

In silicon thin-film solar cells the interface between the i- and p-layer is the most critical. In the case of back diffusion of photogenerated minority carriers to the i/p-interface, recombination occurs mainly on the defect states at the interface. To suppress this effect and to reduce recombination losses, hydrogen plasma treatment (HPT) is usually applied. As an alternative to using state of the art HPT we apply an argon plasma treatment (APT) before the p-layer deposition in n-i-p solar cells. To study the effect of APT, several investigations were applied to compare the results with HPT and no plasma treatment at the interface. Carrier collection losses in resulting solar cells were examined with spectral response measurements with and without bias voltage. To investigate single layers, surface photovoltage and X-ray photoelectron spectroscopy (XPS) measurements were conducted. The results with APT at the i/p-interface show a beneficial contribution to the carrier collection compared with HPT and no plasma treatment. Therefore, it can be concluded that APT reduces the recombination centers at the interface. Further, we demonstrate that carrier collection losses of thin-film solar cells are significantly lower with APT.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗