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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Polar nanoregions and dielectric properties in high-strain lead-free 0.93(Bi{sub 1/2}Na{sub 1/2})TiO{sub 3}-0.07BaTiO{sub 3} piezoelectric single crystals

A structural coexistence of rhombohedral (R) and tetragonal (T) phases has been revealed in the (001){sub c}-cut lead-free 0.93(Bi{sub 1/2}Na{sub 1/2})TiO{sub 3}–0.07BaTiO{sub 3} (BNB7T) piezoelectric crystals, which grown by the self-flux method, in the lower temperatures by high-resolution synchrotron X-ray diffraction, reciprocal space mapping, and transmission electron microscopy. The dielectric permittivity exhibits a thermal hysteresis in the region of 120–260 °C, implying a first-order-like phase transition from R+T to T. The real part (ε′) of dielectric permittivity begins to deviates from the Curie-Weiss equation, ε′ = C/(T − T{sub o}), from the Burns temperature T{sub B} = 460 °C, below which the polar nanoregions (or nanoclusters) develop and attenuate dielectric responses. The polar nanoregions of 5–10 nm were revealed by high-resolution transmission electron microscope. The normal piezoelectric coefficient d{sub 33} exhibits a rapid increase at E = 15–20 kV/cm and reaches a maximum of d{sub 33} ∼450 pC/N. The high piezoelectric response and E-field induced strain in BNB7T single crystals can be attributed to structural phase transitions under an E-field application.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effect of Al-mole fraction in Al{sub x}Ga{sub 1−x}N grown by MOCVD

AlGaN/AlN layers were grown by metalorganic chemical vapor deposition (MOCVD) on sapphire substrates. The Al{sub x}Ga{sub 1−x}N layer composition was varied from 15% to 25%. The crystalline quality, thickness and aluminum (Al) composition of AlGaN were determined using high resolution X-ray diffraction (HRXRD). The growth rate decreases on increasing Al composition. Reciprocal space mapping (RSM) was used to estimate the strain and relaxation between AlGaN and AlN. The optical properties of AlGaN layers were investigated by room temperature Photoluminescence (PL). The AlGaN peak shifts towards lower wavelength with Al composition. The surface morphology of AlGaN was studied by atomic force microscopy (AFM). Root mean square (RMS) roughness values were found to be increased in AlGaN layers with composition.

36 MATERIALS SCIENCE↗
DOE OSTI2014

High-resolution X-ray diffraction analysis of Al{sub x}Ga{sub 1−x}N/In{sub x}Ga{sub 1−x}N/GaN on sapphire multilayer structures: Theoretical, simulations, and experimental observations

The work presents a comparative study on the effects of In incorporation in the channel layer of AlGaN/GaN type-II heterostructures grown on c-plane sapphire by Plasma Assisted Molecular Beam Epitaxy. The structural characterizations of these samples were performed by High-Resolution X-Ray Diffraction (HRXRD), X-ray Reflectivity (XRR), Field Emission Scanning Electron Microscopy, and High Resolution Transmission Electron Microscopy. The two-dimensional electron gas in the AlGaN/GaN and AlGaN/InGaN interface was analyzed by electrochemical capacitance voltage and compared with theoretical results based on self-consistent solution of Schördinger–Poisson equations. The carrier profile shows enhanced confinement in InGaN channel (1.4393 × 10{sup 13} cm{sup −2} compared to 1.096 × 10{sup 13} cm{sup −2} in GaN). On the basis of HRXRD measurements, the stress-strain of the layers was examined. The c- and a-lattice parameters of the epilayers as well as in-plane and out-of plane strains were determined from the ω-2θ for symmetric scan and ω-Xθ (X represents the coupling coefficient) for asymmetric scan. Strain, tilt, and correlation lengths were calculated from Williamson–Hall plots, whereas stress was examined from modified plot of the same data assuming Uniform Stress Deformation Model. Moreover, the twist angle was measured from skew symmetric scan of (102), (103), and (105) plane along with (002) symmetric plane. The composition and strain/relaxation state of the epilayers were observed in detail by reciprocal space mapping (RSM). The symmetric (002) triple axis RSM and asymmetric (105 and 114) double axis RSM of grazing incidence and exit geometry were carried out on each sample. The defect density was measured from HRXRD curves of skew symmetric (002) and (102) reflection plane. The Al and In mole fraction and strain states of the layers were calculated by fitting the experimental curves with computer simulations and compared with theoretical findings based on elastic theory. The thicknesses of the layers and roughness of the interfaces were measured from simulation of the nominal structure by fitting with XRR experimental curves. The HRXRD measured thicknesses of the layers were further confirmed by cross sectional electron micrographs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Two-dimensional electron gases in strained quantum wells for AlN/GaN/AlN double heterostructure field-effect transistors on AlN

Double heterostructures of strained GaN quantum wells (QWs) sandwiched between relaxed AlN layers provide a platform to investigate the quantum-confined electronic and optical properties of the wells. The growth of AlN/GaN/AlN heterostructures with varying GaN quantum well thicknesses on AlN by plasma molecular beam epitaxy (MBE) is reported. Photoluminescence spectra provide the optical signature of the thin GaN QWs. Reciprocal space mapping in X-ray diffraction shows that a GaN layer as thick as ∼28 nm is compressively strained to the AlN layer underneath. The density of the polarization-induced two-dimensional electron gas (2DEG) in the undoped heterostructures increases with the GaN QW thickness, reaching ∼2.5 × 10{sup 13}/cm{sup 2}. This provides a way to tune the 2DEG channel density without changing the thickness of the top barrier layer. Electron mobilities less than ∼400 cm{sup 2}/Vs are observed, leaving ample room for improvement. Nevertheless, owing to the high 2DEG density, strained GaN QW field-effect transistors with MBE regrown ohmic contacts exhibit an on-current density ∼1.4 A/mm, a transconductance ∼280 mS/mm, and a cut off frequency f{sub T}∼104 GHz for a 100-nm-gate-length device. These observations indicate high potential for high-speed radio frequency and high voltage applications that stand to benefit from the extreme-bandgap and high thermal conductivity of AlN.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Comprehensive strain and band gap analysis of PA-MBE grown AlGaN/GaN heterostructures on sapphire with ultra thin buffer

In this work, cluster tool (CT) Plasma Assisted Molecular Beam Epitaxy (PA-MBE) grown AlGaN/GaN heterostructure on c-plane (0 0 0 1) sapphire (Al{sub 2}O{sub 3}) were investigated by High Resolution X-ray Diffraction (HRXRD), Room Temperature Raman Spectroscopy (RTRS), and Room Temperature Photoluminescence (RTPL). The effects of strain and doping on GaN and AlGaN layers were investigated thoroughly. The out-of-plane (‘c’) and in-plane (‘a’) lattice parameters were measured from RTRS analysis and as well as reciprocal space mapping (RSM) from HRXRD scan of (002) and (105) plane. The in-plane (out-of plane) strain of the samples were found to be −2.5 × 10{sup −3}(1 × 10{sup −3}), and −1.7 × 10{sup −3}(2 × 10{sup −3}) in GaN layer and 5.1 × 10{sup −3} (−3.3 × 10{sup −3}), and 8.8 × 10{sup −3}(−1.3 × 10{sup −3}) in AlGaN layer, respectively. In addition, the band structures of AlGaN/GaN interface were estimated by both theoretical (based on elastic theory) and experimental observations of the RTPL spectrum.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Thickness-dependent charge ordering state in Bi{sub 0.4}Sr{sub 0.28}Ca{sub 0.32}MnO{sub 3} thin films under the anisotropic strain

We have achieved clear charge ordering (CO) state in Ca doped Bi{sub 0.4}Sr{sub 0.6−x}Ca{sub x}MnO{sub 3} (BSCMO) films on (110)-orientated SrTiO{sub 3}. The BSCMO film's CO transition temperature (T{sub CO}) was tuned to room temperature (RT) by optimum doping Ca (x = 0.32). Asymmetric x-ray reciprocal space mapping was used to determine the structure evolution of the films with thickness, in detail, under the anisotropic stress in films. We found that the CO phase only appears in thicker films, accompanied by an unique distortion in structure, in which twin-domains structure occurs with the [110] axis slightly tilting toward [1–10] and [−110] directions. The results demonstrate the effects of anisotropic stress on the structure and electronic phases in BSCMO films as thickness increases. Our works are valuable for allowing a RT study in the CO film and further operation of the devices for a practical use.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Plasma assisted molecular beam epitaxy growth and effect of varying buffer thickness on the formation of ultra-thin In{sub 0.17}Al{sub 0.83}N/GaN heterostructure on Si(111)

This work reports on the detailed plasma-assisted molecular beam epitaxy (PAMBE) growth of ultra-thin In{sub 0.17}Al{sub 0.83}N/GaN heterostructures on Si(111) substrate with three different buffer thickness (600 nm, 400 nm, and 200 nm). Growth through critical optimization of growth conditions is followed by the investigation of impact of varying buffer thickness on the formation of ultra-thin 1.5 nm, In{sub 0.17}Al{sub 0.83}N–1.25 nm, GaN–1.5 nm, In{sub 0.17}Al{sub 0.83}N heterostructure, in terms of threading dislocation (TD) density. Analysis reveals a drastic reduction of TD density from the order 10{sup 10 }cm{sup −2} to 10{sup 8 }cm{sup −2} with increasing buffer thickness resulting smooth ultra-thin active region for thick buffer structure. Increasing strain with decreasing buffer thickness is studied through reciprocal space mapping analysis. Surface morphology through atomic force microscopy analysis also supports our study by observing an increase of pits and root mean square value (0.89 nm, 1.2 nm, and 1.45 nm) with decreasing buffer thickness which are resulted due to the internal strain and TDs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Domain matched epitaxial growth of (111) Ba{sub 0.5}Sr{sub 0.5}TiO{sub 3} thin films on (0001) Al{sub 2}O{sub 3} with ZnO buffer layer

Epitaxial (111) Ba{sub 0.5}Sr{sub 0.5}TiO{sub 3} (BST) thin films have been grown by pulsed laser deposition on (0001) Al{sub 2}O{sub 3} substrate with ZnO as buffer layer. The x-ray ω-2θ, Φ-scan and reciprocal space mapping indicate epitaxial nature of BST thin films. The domain matched epitaxial growth of BST thin films over ZnO buffer layer was confirmed using Fourier filtered high resolution transmission electron microscope images of the film-buffer interface. The incorporation of ZnO buffer layer effectively suppressed the lattice mismatch and promoted domain matched epitaxial growth of BST thin films. Coplanar inter digital capacitors fabricated on epitaxial (111) BST thin films show significantly improved tunable performance over polycrystalline thin films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Absence of low temperature phase transitions and enhancement of ferroelectric transition temperature in highly strained BaTiO{sub 3} epitaxial films grown on MgO Substrates

Recently, a large enhancement in the ferroelectric transition temperature of several oxides is reported by growing the respective thin films on appropriate substrates. This phenomenon is correlated with high residual strain in thin films often leading to large increase in the tetragonality of their crystal structure. However, such an enhancement of transition temperature is usually limited to very thin films of ∼10 nm thickness. Here, we report growth of fully strained epitaxial thin films of BaTiO{sub 3} of 400 nm thickness, which are coherently grown on MgO substrates by pulsed laser deposition technique. Conventional high resolution x-ray diffraction and also the reciprocal space map measurements confirm that the film is fully strained with in-plane tensile strain of 5.5% that dramatically increases the tetragonality to 1.05. Raman measurements reveal that the tetragonal to cubic structural phase transition is observed at 583 K, which results in an enhancement of ∼200 K. Furthermore, temperature dependent Raman studies on these films corroborate absence of all the low temperature phase transitions. Numerical calculations based on thermodynamical model predict a value of the transition temperature that is greater than 1500 °C. Our experimental results are therefore in clear deviation from the existing strain dependent phase diagrams.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Influence of length and conformation of saccharide head groups on the mechanics of glycolipid membranes: Unraveled by off-specular neutron scattering

The mechanical properties of multilayer stacks of Gb3 glycolipid that play key roles in metabolic disorders (Fabry disease) were determined quantitatively by using specular and off-specular neutron scattering. Because of the geometry of membrane stacks deposited on planar substrates, the scattered intensity profile was analyzed in a 2D reciprocal space map as a function of in-plane and out-of-plane scattering vector components. The two principal mechanical parameters of the membranes, namely, bending rigidity and compression modulus, can be quantified by full calculation of scattering functions with the aid of an effective cut-off radius that takes the finite sample size into consideration. The bulkier “bent” Gb3 trisaccharide group makes the membrane mechanics distinctly different from cylindrical disaccharide (lactose) head groups and shorter “bent” disaccharide (gentiobiose) head groups. The mechanical characterization of membranes enriched with complex glycolipids has high importance in understanding the mechanisms of diseases such as sphingolipidoses caused by the accumulation of non-degenerated glycosphingolipids in lysosomes or inhibition of protein synthesis triggered by the specific binding of Shiga toxin to Gb3.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Enhancement of two dimensional electron gas concentrations due to Si{sub 3}N{sub 4} passivation on Al{sub 0.3}Ga{sub 0.7}N/GaN heterostructure: strain and interface capacitance analysis

Enhancement of two dimensional electron gas (2DEG) concentrations at Al{sub 0.3}Ga{sub 0.7}N/GaN hetero interface after a-Si{sub 3}N{sub 4} (SiN) passivation has been investigated from non-destructive High Resolution X-ray Diffraction (HRXRD) analysis, depletion depth and capacitance-voltage (C-V) profile measurement. The crystalline quality and strained in-plane lattice parameters of Al{sub 0.3}Ga{sub 0.7}N and GaN were evaluated from double axis (002) symmetric (ω-2θ) diffraction scan and double axis (105) asymmetric reciprocal space mapping (DA RSM) which revealed that the tensile strain of the Al{sub 0.3}Ga{sub 0.7}N layer increased by 15.6% after SiN passivation. In accordance with the predictions from theoretical solution of Schrödinger-Poisson’s equations, both electrochemical capacitance voltage (ECV) depletion depth profile and C-V characteristics analyses were performed which implied effective 9.5% increase in 2DEG carrier density after passivation. The enhancement of polarization charges results from increased tensile strain in the Al{sub 0.3}Ga{sub 0.7}N layer and also due to the decreased surface states at the interface of SiN/Al{sub 0.3}Ga{sub 0.7}N layer, effectively improving the carrier confinement at the interface.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Critical thickness for strain relaxation of Ge{sub 1−x}Sn{sub x} (x ≤ 0.17) grown by molecular beam epitaxy on Ge(001)

We investigated the critical thickness (h{sub c}) for plastic relaxation of Ge{sub 1−x}Sn{sub x} grown by molecular beam epitaxy. Ge{sub 1−x}Sn{sub x} films with various Sn mole fraction x (x ≤ 0.17) and different thicknesses were grown on Ge(001). The strain relaxation of Ge{sub 1−x}Sn{sub x} films and the h{sub c} were investigated by high-resolution x-ray diffraction and reciprocal space mapping. It demonstrates that the measured h{sub c} values of Ge{sub 1−x}Sn{sub x} layers are as much as an order of magnitude larger than that predicted by the Matthews and Blakeslee (M-B) model. The People and Bean (P-B) model was also used to predict the h{sub c} values in Ge{sub 1−x}Sn{sub x}/Ge system. The measured h{sub c} values for various Sn content follow the trend, but slightly larger than that predicted by the P-B model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Dynamic tunneling force microscopy for characterizing electronic trap states in non-conductive surfaces

Dynamic tunneling force microscopy (DTFM) is a scanning probe technique for real space mapping and characterization of individual electronic trap states in non-conductive films with atomic scale spatial resolution. The method is based upon the quantum mechanical tunneling of a single electron back and forth between a metallic atomic force microscopy tip and individual trap states in completely non-conducting surface. This single electron shuttling is measured by detecting the electrostatic force induced on the probe tip at the shuttling frequency. In this paper, the physical basis for the DTFM method is unfolded through a physical model and a derivation of the dynamic tunneling signal as a function of several experimental parameters is shown. Experimental data are compared with the theoretical simulations, showing quantitative consistency and verifying the physical model used. The experimental system is described and representative imaging results are shown.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Enhanced UV detection by non-polar epitaxial GaN films

Nonpolar a-GaN (11-20) epilayers were grown on r-plane (1-102) sapphire substrates using plasma assisted molecular beam epitaxy. High resolution x-ray diffractometer confirmed the orientation of the grown film. Effect of the Ga/N ratio on the morphology and strain of a-GaN epilayers was compared and the best condition was obtained for the nitrogen flow of 1 sccm. Atomic force microscopy was used to analyze the surface morphology while the strain in the film was quantitatively measured using Raman spectroscopy and qualitatively analyzed by reciprocal space mapping technique. UV photo response of a-GaN film was measured after fabricating a metal-semiconductor-metal structure over the film with gold metal. The external quantum efficiency of the photodetectors fabricated in the (0002) polar and (11-20) nonpolar growth directions were compared in terms of responsivity and nonpolar GaN showed the best sensitivity at the cost of comparatively slow response time.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Temperature varying photoconductivity of GeSn alloys grown by chemical vapor deposition with Sn concentrations from 4% to 11%

Pseudomorphic GeSn layers with Sn atomic percentages between 4.5% and 11.3% were grown by chemical vapor deposition using digermane and SnCl{sub 4} precursors on Ge virtual substrates grown on Si. The layers were characterized by x-ray diffraction rocking curves and reciprocal space maps. Photoconductive devices were fabricated, and the dark current was found to increase with Sn concentration. The responsivity of the photoconductors was measured at a wavelength of 1.55 μm using calibrated laser illumination at room temperature and a maximum value of 2.7 mA/W was measured for a 4.5% Sn device. Moreover, the responsivity for higher Sn concentration was found to increase with decreasing temperature. Spectral photoconductivity was measured using Fourier transform infrared spectroscopy. The photoconductive absorption edge continually increased in wavelength with increasing tin percentage, out to approximately 2.4 μm for an 11.3% Sn device. The direct band gap was extracted using Tauc plots and was fit to a bandgap model accounting for layer strain and Sn concentration. This direct bandgap was attributed to absorption from the heavy-hole band to the conduction band. Higher energy absorption was also observed, which was thought to be likely from absorption in the light-hole band. The band gaps for these alloys were plotted as a function of temperature. These experiments show the promise of GeSn alloys for CMOS compatible short wave infrared detectors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Formation of (111) orientation-controlled ferroelectric orthorhombic HfO{sub 2} thin films from solid phase via annealing

0.07YO{sub 1.5}-0.93HfO{sub 2} (YHO7) films were prepared on various substrates by pulse laser deposition at room temperature and subsequent heat treatment to enable a solid phase reaction. (111)-oriented 10 wt. % Sn-doped In{sub 2}O{sub 3}(ITO)//(111) yttria-stabilized zirconia, (111)Pt/TiO{sub x}/SiO{sub 2}/(001)Si substrates, and (111)ITO/(111)Pt/TiO{sub x}/SiO{sub 2}/(001)Si substrates were employed for film growth. In this study, X-ray diffraction measurements including θ–2θ measurements, reciprocal space mappings, and pole figure measurements were used to study the films. The film on (111)ITO//(111)yttria-stabilized zirconia was an (111)-orientated epitaxial film with ferroelectric orthorhombic phase; the film on (111)ITO/(111)Pt/TiO{sub x}/SiO{sub 2}/(001)Si was an (111)-oriented uniaxial textured film with ferroelectric orthorhombic phase; and no preferred orientation was observed for the film on the (111)Pt/TiO{sub x}/SiO{sub 2}/(001)Si substrate, which does not contain ITO. Polarization–hysteresis measurements confirmed that the films on ITO covered substrates had saturated ferroelectric hysteresis loops. A remanent polarization (P{sub r}) of 9.6 and 10.8 μC/cm{sup 2} and coercive fields (E{sub c}) of 1.9 and 2.0 MV/cm were obtained for the (111)-oriented epitaxial and uniaxial textured YHO7 films, respectively. These results demonstrate that the (111)-oriented ITO bottom electrodes play a key role in controlling the orientation and ferroelectricity of the phase formation of the solid films deposited at room temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Growth and characterization of TbAs films

We report on the molecular beam epitaxy growth and characterization of TbAs films. In situ reflection high energy electron diffraction and ex situ high resolution X-ray diffraction, reciprocal space mapping, and both scanning and transmission electron microscopy are used to confirm the complete film growth and study the films’ morphology. Spectrophotometry measurements provide the energy of optical transitions, revealing a red shift in optical band gap with increasing thickness. The Hall effect measurements show temperature insensitive carrier concentrations, resistivities, and mobilities. The carrier concentration decreases and resistivity increases with increasing film thickness; mobility appears thickness independent. Here, the films’ reflectivity, obtained via Fourier transform infrared spectroscopy, shows a possible Drude edge that differs from the trend of other lanthanide monopnictides. Lastly, these measurements show that TbAs is a degenerately doped semiconductor with a combination of electronic and optical properties that is dissimilar to other lanthanide monopnictides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

E-field controlled phase transformation in bismuth ferrite thin films, and effect of laser energy density

Heterostructures of BiFeO 3 /Pb(Mg 1/3 Nb 2/3 )O 3 -30%PbTiO 3 (BFO/PMN-30PT) were fabricated here by pulsed laser deposition. Electric fields (E) were applied on the PMN-30PT substrates along the in-plane and out-of-plane directions, and the induced strain of BFO was measured as a function of E by X-ray diffraction. Reciprocal space maps along the (110) zone axis evidenced that a monoclinic M A phase was induced in both PMN-PT and BFO, where the dominate domain structures could be switched between biaxial directions under application of in-plane E. Studies were done for films prepared under different laser energy densities (LED), in order to optimize the in-plane strain of BFO. A relatively low LED of 1 J/cm 2 produced a better BFO thin film with larger in-plane strain.

36 MATERIALS SCIENCE↗