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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Spectral identification scheme for epitaxially grown single-phase niobium dioxide

This publication describes how to distinguish under-oxidized and over-oxidized phases of the metal-insulator transition material NbO{sub 2} by employing a combination of the Nb 3d and O 1s core-level and valence-band spectra. Niobium oxides (NbO{sub x}) are grown under various conditions by molecular beam epitaxy on several different substrates, mostly (111)-oriented strontium titanate (SrTiO{sub 3}), in order to obtain phase-pure NbO{sub 2}. The films are characterized by in situ reflection high-energy electron diffraction, X-ray diffraction, and transmission electron microscopy to determine crystallinity, lattice constants, and epitaxial relationships. Niobium metal oxidation states and film stoichiometry are determined with in situ X-ray photoelectron spectroscopy. Asymmetric Nb 3d core-level spectral components are observed in phase-pure NbO{sub 2}, with a binding energy for Nb 3d{sub 5/2} of 206 eV. The effect of substrate type, growth temperature, and oxygen pressure on the film composition is also described.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Luminescence properties of Ce{sup 3+} and Tb{sup 3+} co-doped SiO{sub x}N{sub y} thin films: Prospects for color tunability in silicon-based hosts

In this work, the role of the nitrogen content, the annealing temperature, and the sample morphology on the luminescence properties of Ce{sup 3+} and Tb{sup 3+} co-doped SiO{sub x}N{sub y} thin films has been investigated. An increasing nitrogen atomic percentage has been incorporated in the host matrix by gradually replacing oxygen with nitrogen during fabrication while maintaining the Si content unaltered, obtaining a sequential variation in the film composition from nearly stoichiometric SiO{sub 2} to SiO{sub x}N{sub y}. The study of rare earth doped single layers has allowed us to identify the parameters that yield an optimum optical performance from Ce{sup 3+} and Tb{sup 3+} ions. Ce{sup 3+} ions proved to be highly sensitive to the annealing temperature and the nitrogen content, showing strong PL emission for relatively low nitrogen contents (from 0 to 20%) and moderate annealing temperatures (800–1000 °C) or under high temperature annealing (1180 °C). Tb{sup 3+} ions, on the other hand, displayed a mild dependence on those film parameters. Rare earth co-doping has also been investigated by comparing the luminescence properties of three different approaches: (i) a Ce{sup 3+} and Tb{sup 3+} co-doped SiO{sub x}N{sub y} single layer, (ii) a bilayer composed of two SiO{sub x}N{sub y} single layers doped with either Ce{sup 3+} or Tb{sup 3+} ions, and (iii) a multilayer composed of a series of either Tb{sup 3+} or Ce{sup 3+}-doped SiO{sub x}N{sub y} thin films with interleaved SiO{sub 2} spacers. Bright green emission and efficient energy transfer from either Ce{sup 3+} ions or Ce silicates to Tb{sup 3+} ions has been observed in the co-doped single layer as a consequence of the strong ion-ion interaction. On the other hand, independent luminescence from Ce{sup 3+} and Tb{sup 3+} ions has been observed in the Ce{sup 3+} and Tb{sup 3+} co-doped bilayer and multilayer, providing a good scenario to develop light emitting devices with wide color tunability by varying the number of deposited films that contain each rare earth dopant. Moreover, the optoelectronic properties of Ce{sup 3+}- and/or Tb{sup 3+}-doped thin films have been studied by depositing transparent conductive electrodes over selected samples. An electroluminescence signal according to the rare earth transitions is obtained in all cases, validating the excitation of Ce{sup 3+} and Tb{sup 3+} ions upon electron injection. Also, the main charge transport of injected electrons has been evaluated and correlated with the layer stoichiometry. Finally, a simple reliability test has allowed disclosing the origin of the early breakdown of test devices, attributed to the excessive joule heating at filament currents that occur around a region close to the polarization point.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Growth far from equilibrium: Examples from III-V semiconductors

The development of new applications has driven the field of materials design and synthesis to investigate materials that are not thermodynamically stable phases. Materials which are not thermodynamically stable can be synthesized and used in many applications. These materials are kinetically stabilized during use. The formation of such metastable materials requires both an understanding of the associated thermochemistry and the key surface transport processes present during growth. Phase separation is most easily accomplished at the growth surface during synthesis where mass transport is most rapid. These surface transport processes are sensitive to the surface stoichiometry, reconstruction, and chemistry as well as the growth temperature. The formation of new metastable semiconducting alloys with compositions deep within a compositional miscibility gap serves as model systems for the understanding of the surface chemical and physical processes controlling their formation. The GaAs{sub 1−y}Bi{sub y} system is used here to elucidate the role of surface chemistry in the formation of a homogeneous metastable composition during the chemical vapor deposition of the alloy system.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Structural and electronic properties of V{sub 2}O{sub 3} ultrathin film on Ag(001): LEED and photoemission study

V{sub 2}O{sub 3} ultrathin films were grown on Ag(001) substrate by reactive evaporation of vanadium (V) metal in presence of oxygen and their structural and electronic properties were studied by Low Energy Electron Diffraction (LEED), X-ray Photo Electron Spectroscopy (XPS) and Angle Resolved Photoemission Spectroscopic (ARPES) techniques, respectively. On top of square symmetry substrate Ag(001), hexagonal surface of V{sub 2}O{sub 3} (0001) is stabilized in the form of two domain structure, rotated by 30°(or 90°)to each other, has been observed by LEED. Rather than epitaxial flat monolayer, formation of well-ordered V{sub 2}O{sub 3} (0001) island has been confirmed from the LEED and the Photoemission Spectroscopic (PES) study. Stoichiometry of the grown film was confirmed by the XPS study. Evolution of valance band electronic structure of V{sub 2}O{sub 3} (0001) surface has been studied as a function of film thickness by ARPES.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Periodic surface structure bifurcation induced by ultrafast laser generated point defect diffusion in GaAs

The formation of high spatial frequency laser induced periodic surface structures (HSFL) with period <0.3 λ in GaAs after irradiation with femtosecond laser pulses in air is studied. We have identified a point defect generation mechanism that operates in a specific range of fluences in semiconductors between the band-gap closure and ultrafast-melt thresholds that produces vacancy/interstitial pairs. Stress relaxation, via diffusing defects, forms the 350–400 nm tall and ∼90 nm wide structures through a bifurcation process of lower spatial frequency surface structures. The resulting HSFL are predominately epitaxial single crystals and retain the original GaAs stoichiometry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Growth of α-V{sub 2}O{sub 5} nanostructured thin films as a function of deposition process

In this communication, we synthesizedvanadium pentoxide (α-V{sub 2}O{sub 5}) nanostructured thin films (NSTs) using four different methods for obtaining vanadate species namely thermal evaporation (source of vanadate species are V{sub 2}O{sub 5} powder and vanadium metal foil) and plasma assisted sublimation process (source of vanadate species are V{sub 2}O{sub 5} powder and vanadium metal foil). The effect of plasmaon morphological and structural propertieshave been systematicallystudied. XRD revealed thermal evaporation process yielded amorphous films whereassublimation process yielded highly crystalline α-V{sub 2}O{sub 5} films. HRTEM of nanobelts show, the growth is preferred in (001) crystallographic direction with interplanar distance of 0.43 nm. XPS revealed O/V ratio of ~2.4, which nearly agrees with standard V{sub 2}O{sub 5} stoichiometry. SEM revealed deposition process affect morphology of films; thermal evaporation results in smoother film while plasma assisted sublimation process reveals nanoflakes and nanobelts (NBs). All the results are inconcordance with each other.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Role of laser energy density on growth of highly oriented topological insulator Bi{sub 2}Se{sub 3} thin films

Topological insulators (TIs) are very promising in the field of nanoelectronics due to their exotic properties. Bismuth Selenide, a 3D Topological insulator is considered as reference TI owing to its simple band structure and large bandgap. However, the presence of unintentional doping, which masks the metallic surface states, is still a major concern. In this work, we report the effect of laser energy density on the growth of highly oriented and stoichiometric thin films of Bi{sub 2}Se{sub 3} by pulsed laser deposition (PLD). Structural characterizations by X-ray diffraction (XRD) and Raman Spectroscopy confirms the c-axis orientation and good crystallinity of films. Atomic force microscopy (AFM) study shows the increase in average grain size and rms roughness (from 3.1 nm to 5.1 nm) with the decrease in laser energy density. Compositional study by X-Ray Reflectivity (XRR) measurement is found to be in agreement with AFM results. Energy dispersive x-ray spectroscopy (EDS) measurements confirm the desired stoichiometry of the samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

200 MeV Ag{sup 15+} ion beam irradiation effects on spray deposited 5 wt% 'Li' doped V{sub 2}O{sub 5} thin film

Lithium 5 wt% doped V{sub 2}O{sub 5} thin film was deposited onto ITO substrate by spray pyrolysis technique. The substrate temperature was kept at 450 °C. 200 MeV Ag{sup 15+} ion beams at a fluence of 5×10{sup 12} ions/cm{sup 2} was irradiated on 5 wt% ‘Li’ doped V{sub 2}O{sub 5} film of thickness 1367 nm. The XRD pattern confirms that the pristine film is non stoichiometry with orthorhombic structure and upon irradiation the crystallinity decreased and an obvious textured growth along (020) plane is induced. Raman peak observed at 917 cm{sup −1} is due to oxygen deficiency. Upon irradiation, the optical transparency and band gap of the film decreased. Electrical transport property study shows that the resistivity increased by one order for the irradiated film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Growth of high quality single crystals of Bi{sub 2}Se{sub 3} topological insulator via solid state reaction method

Recently discovered, Topological Insulators (TIs) have garnered enormous amount of attention owing to its unique surface properties which has potential applications in the field of spintronics and other modern technologies. For all this, it should require a very good quality samples. There are a number of techniques suggested by people for the growth of good quality TIs. Here, we are reporting the growth of high quality single crystals of Bi{sub 2}Se{sub 3} (a TI) by slow cooling solid-state reaction method. X-ray diffraction measurements performed on a cleaved flake of single crystal Bi{sub 2}Se{sub 3} showed up with proper orientations of the crystal planes. High energy X-ray diffraction has been performed to confirm the stoichiometry of the compound and also recorded Laue patterns prove the single crystalline nature of Bi{sub 2}Se{sub 3}. Moreover, angle resolved photo-emission spectroscopy (ARPES) carried out on a flat crystal flake shows distinct Dirac dispersion of surface bands at the gamma point clarifying it as a 3D topological insulator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Synthesis of Cu{sub 2}ZnSnS{sub 4} nanoparticles by solvothermal route

CZTS nanoparticles of size ~ 20 nm have been synthesized by solvothermal method. X-ray diffraction pattern confirms the growth of single phase CZTS nanoparticles with kesterite structure and lattice parameter obtained as a = b = 0.54 nm and c = 1.08 nm. The Raman peak observed at 338 cm{sup −1} also confirms the formation of pure CZTS phase. High resolution transition electron microscopy image confirms the good crystallinity of the CZTS nanoparticles with the growth along (112) plane. Energy dispersive spectroscopy confirms the stoichiometry of the CZTS nanoparticles. The CZTS nanoparticles exhibits a strong optical absorption in the visible region with direct band gap ~1.5 eV, which is optimum for photovoltaic application.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Effect of fabrication conditions on phase formation and properties of epitaxial (PbMg{sub 1/3}Nb{sub 2/3}O{sub 3}){sub 0.67}-(PbTiO{sub 3}){sub 0.33} thin films on (001) SrTiO{sub 3}

The pulsed laser deposition process of 300 nm thick films of Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}){sub 0.67}-(PbTiO{sub 3}){sub 0.33} on (001)-oriented SrTiO{sub 3} was studied by varying deposition pressure, substrate deposition temperature, laser fluence on the target and target-substrate distance. Perovskite phase pure, (001)-oriented, epitaxial smooth films were obtained in a narrow range of deposition parameters. The ferroelectric and dielectric properties of films fabricated within this parameter range still vary significantly. This shows the sensitivity of the system for growth conditions. The best film has a polarization value close to that expected for a (001) poled, stress free single crystal film. All films show deposition conditions dependent variations in the self-bias field. The self-bias is very stable during long cycling for films made at optimum deposition conditions. The piezoelectric coefficients of the films are strongly reduced with respect to bulk single crystal values due to the film clamping. The properties variations are ascribed to changes in the grain boundary properties in which film defects are expected to accumulate. Notably slight off-stoichiometry may cause localized screening charges, affecting specifically the polarization and dielectric constant.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Large tunneling magnetoresistance in octahedral Fe{sub 3}O{sub 4} nanoparticles

We have observed large tunneling Magnetoresistance (TMR) in amine functionalized octahedral nanoparticle assemblies. Amine monolayer on the surface of nanoparticles acts as an insulating barrier between the semimetal Fe{sub 3}O{sub 4} nanoparticles and provides multiple tunnel junctions where inter-granular tunneling is plausible. The tunneling magnetoresistance recorded at room temperature is 38% which increases to 69% at 180 K. When the temperature drops below 150 K, coulomb staircase is observed in the current versus voltage characteristics as the charging energy exceeds the thermal energy. A similar study is also carried out with spherical nanoparticles. A 24% TMR is recorded at room temperature which increases to 41% at 180 K for spherical particles. Mössbauer spectra reveal better stoichiometry for octahedral particles which is attainable due to lesser surface disorder and strong amine coupling at the <111> facets of octahedral Fe{sub 3}O{sub 4} nanoparticles. Less stoichiometric defect in octahedral nanoparticles leads to a higher value of spin polarization and therefore larger TMR in octahedral nanoparticles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Silver migration and trapping in ion implanted ZnO single crystals

Potentially, group-Ib elements (Cu, Ag, and Au) incorporated on Zn sites can be used for p-type doping of ZnO, and in the present paper, we use ion implantation to introduce Ag atoms in wurtzite ZnO single crystals. Monitoring the Li behavior, being a residual impurity in the crystals, as a tracer, we demonstrate that Zn interstitials assist the Ag diffusion and lead to Ag pile-up behind the implanted region after annealing above 800 °C. At even higher temperatures, a pronounced Ag loss from the sample surface occurs and concurrently the Ag atoms exhibit a trap-limited diffusion into the crystal bulk with an activation energy of ∼2.6 eV. The dominant traps are most likely Zn vacancies and substitutional Li atoms, yielding substitutional Ag atoms. In addition, formation of an anomalous multipeak Ag distribution in the implanted near-surface region after annealing can be attributed to local implantation-induced stoichiometry disturbances leading to trapping of the Ag atoms by O and Zn vacancies in the vicinity of the surface and in the end-of-range region, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Highly conductive grain boundaries in copper oxide thin films

High conductivity in the off-state and low field-effect mobility compared to bulk properties is widely observed in the p-type thin-film transistors of Cu{sub 2}O, especially when processed at moderate temperature. This work presents results from in situ conductance measurements at thicknesses from sub-nm to around 250 nm with parallel X-ray photoelectron spectroscopy. An enhanced conductivity at low thickness is explained by the occurrence of Cu(II), which is segregated in the grain boundary and locally causes a conductivity similar to CuO, although the surface of the thick film has Cu{sub 2}O stoichiometry. Since grains grow with an increasing film thickness, the effect of an apparent oxygen excess is most pronounced in vicinity to the substrate interface. Electrical properties of Cu{sub 2}O grains are at least partially short-circuited by this effect. The study focuses on properties inherent to copper oxide, although interface effects cannot be ruled out. This non-destructive, bottom-up analysis reveals phenomena which are commonly not observable after device fabrication, but clearly dominate electrical properties of polycrystalline thin films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Equiatomic quaternary Heusler alloys: A material perspective for spintronic applications

Half-metallic ferromagnetic (HMF) materials show high spin polarization and are therefore interesting to researchers due to their possible applications in spintronic devices. In these materials, while one spin sub band has a finite density of states at the Fermi level, the other sub band has a gap. Because of their high Curie temperature (T{sub C}) and tunable electronic structure, HMF Heusler alloys have a special importance among the HMF materials. Full Heusler alloys with the stoichiometric composition X{sub 2}YZ (where X and Y are the transition metals and Z is a sp element) have the cubic L2{sub 1} structure with four interpenetrating fcc sublattices. When each of these four fcc sublattices is occupied by different atoms (XX′YZ), a quaternary Heusler structure with different structural symmetries (space group F-43m, #216) is obtained. Recently, these equiatomic quaternary Heusler alloys (EQHAs) with 1:1:1:1 stoichiometry have attracted a lot of attention due to their superior magnetic and transport properties. A special class of HMF materials identified recently is known as spin gapless semiconductors (SGS). The difference in this case, compared with HMFs, is that the density of states for one spin band is just zero at the Fermi level, while the other has a gap as in the case of HMFs. Some of the reported SGS materials belong to EQHAs family. This review is dedicated to almost all reported materials belonging to EQHAs family. The electronic structure and hence the physical properties of Heusler alloys strongly depend on the degree of structural order and distribution of the atoms in the crystal lattice. A variety of experimental techniques has been used to probe the structural parameters and degree of order in these alloys. Their magnetic properties have been investigated using the conventional methods, while the spin polarization has been probed by point contact Andreev reflection technique. The experimentally obtained values of saturation magnetization are found to be in agreement with those estimated using the Slater-Pauling rule in most of the cases. Electrical resistivity and Hall measurements are being used to distinguish between SGS and HMF nature in detail. The current spin polarization value, P = 0.70 ± 0.01, for CoFeMnGe is found to be highest among the EQHAs. CoFeMnSi and CoFeCrGa are found to show SGS behavior with high Curie temperatures, thus making them suitable substitutes for diluted magnetic semiconductors. CoRuFeSi is found to have the highest T{sub C} among EQHAs. Theoretical prediction of magnetic properties on the basis of electronic structure calculations has also been reported in a few systems, which are also discussed in this review. Thus, this review presents a consolidated picture of the magnetic and spintronic properties of this important, but relatively new class of Heusler alloys. It is expected that this will stimulate further interest in these alloys, thereby paving the way for the identification of more HMF and SGS materials. As a result of this, it is expected that more efficient spintronic devices using these alloys would emerge in the near future.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Comparison of the growth kinetics of In{sub 2}O{sub 3} and Ga{sub 2}O{sub 3} and their suboxide desorption during plasma-assisted molecular beam epitaxy

We present a comprehensive study of the In{sub 2}O{sub 3} growth kinetics during plasma-assisted molecular beam epitaxy and compare it to that of the related oxide Ga{sub 2}O{sub 3} [P. Vogt and O. Bierwagen, Appl. Phys. Lett. 108, 072101 (2016)]. The growth rate and desorbing fluxes were measured during growth in-situ by a laser reflectometry set-up and line-of-sight quadrupole mass spectrometer, respectively. We extracted the In incorporation as a function of the provided In flux, different growth temperatures T{sub G}, and In-to-O flux ratios r. The data are discussed in terms of the competing formation of In{sub 2}O{sub 3} and desorption of the suboxide In{sub 2}O and O. The same three growth regimes as in the case of Ga{sub 2}O{sub 3} can be distinguished: (i) In-transport limited, O-rich (ii) In{sub 2}O-desorption limited, O-rich, and (iii) O-transport limited, In-rich. In regime (iii), In droplets are formed on the growth surface at low T{sub G}. The growth kinetics follows qualitatively that of Ga{sub 2}O{sub 3} in agreement with their common oxide and suboxide stoichiometry. The quantitative differences are mainly rationalized by the difference in In{sub 2}O and Ga{sub 2}O desorption rates and vapor pressures. For the In{sub 2}O, Ga{sub 2}O, and O desorption, we extracted the activation energies and frequency factors by means of Arrhenius-plots.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Photocatalytic and photoelectrochemical performance of Ta{sub 3}N{sub 5} microcolumn films fabricated using facile reactive sputtering

This paper presents the photocatalytic and photoelectrochemical (PEC) properties of Ta{sub 3}N{sub 5} microcolumn films. The highlights include (1) overcoming the fundamental barrier of standard reactive sputtering for fabricating microcolumns; (2) preventing unnecessary complexity from complicating facile sputtering; (3) an alternative but effective approach for fabricating Ta{sub 3}N{sub 5} without using caustic NH{sub 3} gases; (4) investigating morphology tuning for favorable photocatalysis and PEC reactions; and (5) elucidating the relationships of the structures, morphologies, and properties of Ta{sub 3}N{sub 5} microcolumns. High-resolution transmission electron microscopy and selective-area electron diffraction verified the polycrystallinity of Ta{sub 3}N{sub 5} microcolumns, of which the elemental compositions and stoichiometry were measured using electron-probe energy dispersive spectroscopy, Auger electron spectroscopy, and X-ray photoelectron spectroscopy. The corresponding band gap was determined to be approximately 2.1 eV. The sample exhibited a superior photodegradation capability; the photodegradation rate constant k was determined to be approximately 1.4 times higher than that of P25 under UV irradiation. A photocatalytic and PEC cycling test indicated the photodegradation reusability and photostability of the Ta{sub 3}N{sub 5} microcolumns. The incident photon-to-current efficiency performance reached 6%, suggesting that these microcolumns hold potential for application in PEC devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Improved characteristics of amorphous indium-gallium-zinc-oxide-based resistive random access memory using hydrogen post-annealing

The authors report an improvement in resistive switching (RS) characteristics of amorphous indium-gallium-zinc-oxide (a-IGZO)-based resistive random access memory devices using hydrogen post-annealing. Because this a-IGZO thin film has oxygen off-stoichiometry in the form of deficient and excessive oxygen sites, the film properties can be improved by introducing hydrogen atoms through the annealing process. After hydrogen post-annealing, the device exhibited a stable bipolar RS, low-voltage set and reset operation, long retention (>10{sup 5 }s), good endurance (>10{sup 6} cycles), and a narrow distribution in each current state. The effect of hydrogen post-annealing is also investigated by analyzing the sample surface using X-ray photon spectroscopy and atomic force microscopy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗