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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 847 records · Page 47
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DOE OSTI2015

Effect of atomic-arrangement matching on La{sub 2}O{sub 3}/Ge heterostructures for epitaxial high-k-gate-stacks

We demonstrate a high-quality La{sub 2}O{sub 3} layer on germanium (Ge) as an epitaxial high-k-gate-insulator, where there is an atomic-arrangement matching condition between La{sub 2}O{sub 3}(001) and Ge(111). Structural analyses reveal that (001)-oriented La{sub 2}O{sub 3} layers were grown epitaxially only when we used Ge(111) despite low growth temperatures less than 300 °C. The permittivity (k) of the La{sub 2}O{sub 3} layer is roughly estimated to be ∼19 from capacitance-voltage (C-V) analyses in Au/La{sub 2}O{sub 3}/Ge structures after post-metallization-annealing treatments, although the C-V curve indicates the presence of carrier traps near the interface. By using X-ray photoelectron spectroscopy analyses, we find that only Ge–O–La bonds are formed at the interface, and the thickness of the equivalent interfacial Ge oxide layer is much smaller than that of GeO{sub 2} monolayer. We discuss a model of the interfacial structure between La{sub 2}O{sub 3} and Ge(111) and comment on the C-V characteristics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Composition-induced structural, electrical, and magnetic phase transitions in AX-type mixed-valence cobalt oxynitride epitaxial thin films

Synthesis of mid- to late-transition metal oxynitrides is generally difficult by conventional thermal ammonolysis because of thermal instability. In this letter, we synthesized epitaxial thin films of AX-type phase-pure cobalt oxynitrides (CoO{sub x}N{sub y}) by using nitrogen-plasma-assisted pulsed laser deposition and investigated their structural, electrical, and magnetic properties. The CoO{sub x}N{sub y} thin films with 0 ≤ y/(x + y) ≤ 0.63 grown on MgO (100) substrates showed a structural phase transition from rock salt (RS) to zinc blend at the nitrogen content y/(x + y) ∼ 0.5. As the nitrogen content increased, the room-temperature electrical resistivity of the CoO{sub x}N{sub y} thin films monotonically decreased from the order of 10{sup 5} Ω cm to 10{sup −4} Ω cm. Furthermore, we observed an insulator-to-metal transition at y/(x + y) ∼ 0.34 in the RS-CoO{sub x}N{sub y} phase, which has not yet been reported in Co{sup 2+}/Co{sup 3+} mixed-valence cobalt oxides with octahedral coordination. The low resistivity in the RS-CoO{sub x}N{sub y} phase, on the 10{sup −3} Ω cm order, may have originated from the intermediate spin state of Co{sup 3+} stabilized by the lowered crystal field symmetry of the CoO{sub 6−n}N{sub n} octahedra (n = 1, 2,…5). Magnetization measurements suggested that a magnetic phase transition occurred in the RS-CoO{sub x}N{sub y} films during the insulator-to-metal transition. These results demonstrate that low-temperature epitaxial growth is a promising approach for exploring novel electronic functionalities in oxynitrides.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Fabrication of GeSn-multiple quantum wells by overgrowth of Sn on Ge by using molecular beam epitaxy

We report on the fabrication and structural characterization of epitaxially grown ultra-thin layers of Sn on Ge virtual substrates (Si buffer layer overgrown by a 50 nm thick Ge epilayer followed by an annealing step). Samples with 1 to 5 monolayers of Sn on Ge virtual substrates were grown using solid source molecular beam epitaxy and characterized by atomic force microscopy. We determined the critical thickness at which the transition from two-dimensional to three-dimensional growth occurs. This transition is due to the large lattice mismatch between Ge and Sn (≈14.7%). By depositing Ge on top of Sn layers, which have thicknesses at or just below the critical thickness, we were able to fabricate ultra-narrow GeSn multi-quantum-well structures that are fully embedded in Ge. We report results on samples with one and ten GeSn wells separated by 5 and 10 nm thick Ge spacer layers that were characterized by high resolution transmission electron microscopy and X-ray diffraction. We discuss the structure and material intermixing observed in the samples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Comparative study of electron transport mechanisms in epitaxial and polycrystalline zinc nitride films

Zn{sub 3}N{sub 2} has been reported to have high electron mobility even in polycrystalline films. The high mobility in polycrystalline films is a striking feature as compared with group-III nitrides. However, the origins of the high mobility have not been elucidated to date. In this paper, we discuss the reason for high mobility in Zn{sub 3}N{sub 2}. We grew epitaxial and polycrystalline films of Zn{sub 3}N{sub 2}. Electron effective mass (m*) was determined optically and found to decrease with a decrease in electron density. Using a nonparabolic conduction band model, the m* at the bottom of the conduction band was derived to be (0.08 ± 0.03)m{sub 0} (m{sub 0} denotes the free electron mass), which is comparable to that in InN. Optically determined intra-grain mobility (μ{sub opt}) in the polycrystalline films was higher than 110 cm{sup 2} V{sup −1} s{sup −1}, resulting from the small m*. The Hall mobility (μ{sub H}) in the polycrystalline films was significantly smaller than μ{sub opt}, indicating that electron transport is impeded by scattering at the grain boundaries. Nevertheless, μ{sub H} higher than 70 cm{sup 2} V{sup −1} s{sup −1} was achievable owing to the beneficial effect of the high μ{sub opt}. As for the epitaxial films, we revealed that electron transport is hardly affected by grain boundary scattering and is governed solely by ionized impurity scattering. The findings in this study suggest that Zn{sub 3}N{sub 2} is a high-mobility semiconductor with small effective mass.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Effect of crystal orientation on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO{sub 3} thin films

The influence of crystal orientations on the phase diagrams, dielectric and piezoelectric properties of epitaxial BaTiO{sub 3} thin films has been investigated using an expanded nonlinear thermodynamic theory. The calculations reveal that crystal orientation has significant influence on the phase stability and phase transitions in the misfit strain-temperature phase diagrams. In particular, the (110) orientation leads to a lower symmetry and more complicated phase transition than the (111) orientation in BaTiO{sub 3} films. The increase of compressive strain will dramatically enhance the Curie temperature T{sub C} of (110)-oriented BaTiO{sub 3} films, which matches well with previous experimental data. The polarization components experience a great change across the boundaries of different phases at room temperature in both (110)- and (111)-oriented films, which leads to the huge dielectric and piezoelectric responses. A good agreement is found between the present thermodynamics calculation and previous first-principles calculations. Our work provides an insight into how to use crystal orientation, epitaxial strain and temperature to tune the structure and properties of ferroelectrics.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Growth and magnetic properties of ultrathin epitaxial FeO films and Fe/FeO bilayers on MgO(001)

Ultrathin FeO(001) films were grown via molecular beam epitaxy on MgO(001) using reactive deposition of Fe. The growth conditions were adjusted toward stabilization of the wüstite phase, the existence of which was confirmed by means of conversion electron Mössbauer spectroscopy. It was shown how the metallic Fe overlayer modified the chemical state and the magnetic properties of the FeO oxide. Finally, we observed the exchange bias for an epitaxial Fe/FeO bilayer grown on MgO(001)

36 MATERIALS SCIENCE↗
DOE OSTI2016

Ultrahigh efficiencies in vertical epitaxial heterostructure architectures

Optical to electrical power converting semiconductor devices were achieved with breakthrough performance by designing a Vertical Epitaxial Heterostructure Architecture. The devices are featuring modeled and measured conversion efficiencies greater than 65%. The ultrahigh conversion efficiencies were obtained by monolithically integrating several thin GaAs photovoltaic junctions tailored with submicron absorption thicknesses and grown in a single crystal by epitaxy. The heterostructures that were engineered with a number N of such ultrathin junctions yielded an optimal external quantum efficiencies approaching 100%/N. The heterostructures are capable of output voltages that are multiple times larger than the corresponding photovoltage of the input light. The individual nanoscale junctions are each generating up to ∼1.2 V of output voltage when illuminated in the infrared. We compare the optoelectronic properties of phototransducers prepared with designs having 5 to 12 junctions and that are exhibiting voltage outputs between >5 V and >14 V.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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

Graphene nanoribbons epitaxy on boron nitride

In this letter, we report a pilot study on epitaxy of monolayer graphene nanoribbons (GNRs) on hexagonal boron nitride (h-BN). We found that GNRs grow preferentially from the atomic steps of h-BN, forming in-plane heterostructures. GNRs with well-defined widths ranging from ∼15 nm to ∼150 nm can be obtained reliably. As-grown GNRs on h-BN have high quality with a carrier mobility of ∼20 000 cm{sup 2} V{sup −1} s{sup −1} for ∼100-nm-wide GNRs at a temperature of 1.7 K. Besides, a moiré pattern induced quasi-one-dimensional superlattice with a periodicity of ∼15 nm for GNR/h-BN was also observed, indicating zero crystallographic twisting angle between GNRs and h-BN substrate. The superlattice induced band structure modification is confirmed by our transport results. These epitaxial GNRs/h-BN with clean surfaces/interfaces and tailored widths provide an ideal platform for high-performance GNR devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A nitride-based epitaxial surface layer formed by ammonia treatment of silicene-terminated ZrB{sub 2}

We present a method for the formation of an epitaxial surface layer involving B, N, and Si atoms on a ZrB{sub 2}(0001) thin film on Si(111). It has the potential to be an insulating growth template for 2D semiconductors. The chemical reaction of NH{sub 3} molecules with the silicene-terminated ZrB{sub 2} surface was characterized by synchrotron-based, high-resolution core-level photoelectron spectroscopy and low-energy electron diffraction. In particular, the dissociative chemisorption of NH{sub 3} at 400 °C leads to surface nitridation, and subsequent annealing up to 830 °C results in a solid phase reaction with the ZrB{sub 2} subsurface layers. In this way, a new nitride-based epitaxial surface layer is formed with hexagonal symmetry and a single in-plane crystal orientation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Investigation of optical properties of epitaxial yttrium iron garnet films

In work we investigated yttrium iron garnet epitaxial films with a thickness of 10 µm and 55 µm which were grown on the surface of garnet substrate. Using the polarizing microscopy method the branching domain structure of films was shown with the period of domains 21.5 µm and 42.5 µm. Disappearance of domains at presence of an external magnetic field up to 100 Oe was noted. The optical transmission of films for the polarized beam of HeNe laser is investigated and zero diffraction order and odd diffraction rings orders were shown. Interconnection of the period of chaotically oriented domains with angles of axially symmetric diffraction rings orders was shown. Diffraction patterns at various longitudinal magnetic fields are investigated. Disappearance of odd diffraction orders and increasing in intensity of zero diffraction order were fixed. Optical transmission of epitaxial films was measured in range of 500 - 900 nm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Thickness dependent structural, magnetic and magneto-transport properties of epitaxial Nd{sub 0.50}Sr{sub 0.50}MnO{sub 3} thin films

We report the thickness-dependent structural, magnetic and magneto-transport properties in epitaxial Nd{sub 0.50}Sr{sub 0.50}MnO{sub 3} thin films (10 to 300nm) prepared by DC magnetron sputtering technique on single crystalline (001) oriented substrate LaAlO{sub 3}. X-ray diffraction pattern reveals the epitaxial growth of all the films and the out-of-plane lattice parameter of films were found to increase with thickness. As thickness of the film increases the paramagnetic insulator (PMI) to ferromagnetic metal (FMM) transition temperature (T{sub C}), charge ordered transition temperature (T{sub CO}) and magnetic moment were found to increase with a strong bifurcation in ZFC-FC magnetization. The asymmetry in the coercivity seen in field dependent magnetization loops (M-H loops) suggests the presence of exchange bias (EB) effect. While temperature dependent resistivity of films show the semiconducting nature for thickness 10-200nm in temperature range from 5-300K, the film of thickness 300nm shows the insulator to metal transition with transition temperature (T{sub IM}) at 175K. Temperature dependent low field magnetoresistance (LFMR) measured at 4kOe found to decrease with thickness and for high field magnetoresistance (HFMR) at 40kOe and 60kOe also show similar dependence and a crossover at intermediate temperature range in the magnitude of MR between 10nm and 200nm films at constant field. Colossal increase in magnetoresistance observed for 10nm film at low temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Growth kinetics and structural perfection of (InN){sub 1}/(GaN){sub 1–20} short-period superlattices on +c-GaN template in dynamic atomic layer epitaxy

The growth kinetics and structural perfection of (InN){sub 1}/(GaN){sub 1–20} short-period superlattices (SPSs) were investigated with their application to ordered alloys in mind. The SPSs were grown on +c-GaN template at 650 °C by dynamic atomic layer epitaxy in conventional plasma-assisted molecular beam epitaxy. It was found that coherent structured InN/GaN SPSs could be fabricated when the thickness of the GaN barrier was 4 ML or above. Below 3 ML, the formation of SPSs was quite difficult owing to the increased strain in the SPS structure caused by the use of GaN as a template. The effective or average In composition of the (InN){sub 1}/(GaN){sub 4} SPSs was around 10%, and the corresponding InN coverage in the ∼1 ML-thick InN wells was 50%. It was found that the effective InN coverage in ∼1 ML-thick InN wells could be varied with the growth conditions. In fact, the effective In composition could be increased up to 13.5%, i.e., the corresponding effective InN coverage was about 68%, by improving the capping/freezing speed by increasing the growth rate of the GaN barrier layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Polarization rotation associated critical phenomena in epitaxial PbTiO{sub 3} thin films near room temperature

Strain-driven and temperature-driven monoclinic-orthorhombic phase transition in epitaxial PbTiO{sub 3} exhibit similar behavior under electric field, i.e., polarization discontinuity is reduced at the first-order ferroelectric-ferroelectric transition whose latent heat vanishes at a critical point. Due to critical phenomena the energy barrier for polarization rotation significantly diminishes, and hence thermodynamic response functions tend to diverge in the induced monoclinic states. Phenomenological calculations show that dielectric and piezoelectric properties are highly tunable by in-plane strain and electric field, and large electromechanical response may occur in epitaxial PbTiO{sub 3} thin films at room temperature. Phenomenological calculations show that large electrocaloric responsivity can also be expected at room temperature by manipulating the phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Structural, electronic structure, and band alignment properties at epitaxial NiO/Al{sub 2}O{sub 3} heterojunction evaluated from synchrotron based X-ray techniques

The valence band offset value of 2.3 ± 0.2 eV at epitaxial NiO/Al{sub 2}O{sub 3} heterojunction is determined from photoelectron spectroscopy experiments. Pulsed laser deposited thin film of NiO on Al{sub 2}O{sub 3} substrate is epitaxially grown along [111] direction with two domain structures, which are in-plane rotated by 60° with respect to each other. Observation of Pendellosung oscillations around Bragg peak confirms high interfacial and crystalline quality of NiO layer deposited on Al{sub 2}O{sub 3} substrate. Surface related feature in Ni 2p{sub 3/2} core level spectra along with oxygen K-edge soft X-ray absorption spectroscopy results indicates that the initial growth of NiO on Al{sub 2}O{sub 3} substrate is in the form of islands, which merge to form NiO layer for the larger coverage. The value of conduction band offset is also evaluated from the measured values of band gaps of NiO and Al{sub 2}O{sub 3} layers. A type-I band alignment at NiO and Al{sub 2}O{sub 3} heterojunction is also obtained. The determined values of band offsets can be useful in heterojunction based light emitting devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Wafer-scale controlled exfoliation of metal organic vapor phase epitaxy grown InGaN/GaN multi quantum well structures using low-tack two-dimensional layered h-BN

Recent advances in epitaxial growth have led to the growth of III-nitride devices on 2D layered h-BN. This advance has the potential for wafer-scale transfer to arbitrary substrates, which could improve the thermal management and would allow III-N devices to be used more flexibly in a broader range of applications. We report wafer scale exfoliation of a metal organic vapor phase epitaxy grown InGaN/GaN Multi Quantum Well (MQW) structure from a 5 nm thick h-BN layer that was grown on a 2-inch sapphire substrate. The weak van der Waals bonds between h-BN atomic layers break easily, allowing the MQW structure to be mechanically lifted off from the sapphire substrate using a commercial adhesive tape. This results in the surface roughness of only 1.14 nm on the separated surface. Structural characterizations performed before and after the lift-off confirm the conservation of structural properties after lift-off. Cathodoluminescence at 454 nm was present before lift-off and 458 nm was present after. Electroluminescence near 450 nm from the lifted-off structure has also been observed. These results show that the high crystalline quality ultrathin h-BN serves as an effective sacrificial layer—it maintains performance, while also reducing the GaN buffer thickness and temperature ramps as compared to a conventional two-step growth method. These results support the use of h-BN as a low-tack sacrificial underlying layer for GaN-based device structures and demonstrate the feasibility of large area lift-off and transfer to any template, which is important for industrial scale production.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Direct conversion of h-BN into c-BN and formation of epitaxial c-BN/diamond heterostructures

We have created a new state of BN (named Q-BN) through rapid melting and super undercooling and quenching by using nanosecond laser pulses. Phase pure c-BN is formed either by direct quenching of super undercooled liquid or by nucleation and growth from Q-BN. Thus, a direct conversion of hexagonal boron nitride (h-BN) into phase-pure cubic boron nitride (c-BN) is achieved by nanosecond pulsed laser melting at ambient temperatures and atmospheric pressure in air. According to the P-T phase diagram, the transformation from h-BN into c-BN under equilibrium processing can occur only at high temperatures and pressures, as the hBN-cBN-Liquid triple point is at 3500 K/9.5 GPa or 3700 K/7.0 GPa with a recent theoretical refinement. Using nonequilibrium nanosecond laser melting, we have created super undercooled state and shifted this triple point to as low as 2800 K and atmospheric pressure. The rapid quenching from super undercooled state leads to the formation of a new phase, named as Q-BN. We present detailed characterization of Q-BN and c-BN layers by using Raman spectroscopy, high-resolution scanning electron microscopy, electron-back-scatter diffraction, high-resolution TEM, and electron energy loss spectroscopy, and discuss the mechanism of formation of nanodots, nanoneedles, microneedles, and single-crystal c-BN on sapphire substrate. We have also deposited diamond by pulsed laser deposition of carbon on c-BN and created c-BN/diamond heterostructures, where c-BN acts as a template for epitaxial diamond growth. We discuss the mechanism of epitaxial c-BN and diamond growth on lattice matching c-BN template under pulsed laser evaporation of amorphous carbon, and the impact of this discovery on a variety of applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Tunable band gap in epitaxial ferroelectric Ho(Mn,Ga)O{sub 3} films

Ferroelectrics have recently attracted attention as a new class of materials for use in optical and photovoltaic devices. We studied the electronic properties in epitaxially stabilized ferroelectric hexagonal Ho(Mn{sub 1−x}Ga{sub x})O{sub 3} (x = 0, 0.33, 0.67, and 1) thin films. Our films exhibited systematic changes in electronic structures, such as bandgap and optical transitions, according to the Ga concentration. In particular, the bandgap increased systematically from 1.4 to 3.2 eV, including the visible light region, with increasing Ga concentration from x = 0 to 1. These systematic changes, attributed to lattice parameter variations in epitaxial Ho(Mn{sub 1−x}Ga{sub x})O{sub 3} films, should prove useful for the design of optoelectronic devices based on ferroelectrics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗