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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Role of microstructures on the M1-M2 phase transition in epitaxial VO2 thin films

Vanadium dioxide (VO2) with its unique sharp resistivity change at the metal-insulator transition (MIT) has been extensively considered for the near-future terahertz/infrared devices and energy harvesting systems. Controlling the epitaxial quality and microstructures of vanadium dioxide thin films and understanding the metal-insulator transition behaviors are therefore critical to novel device development. The metal-insulator transition behaviors of the epitaxial vanadium dioxide thin films deposited on Al2O3 (0001) substrates were systematically studied by characterizing the temperature dependency of both Raman spectrum and Fourier transform infrared spectroscopy. Our findings on the correlation between the nucleation dynamics of intermediate monoclinic (M2) phase with microstructures will open a new avenue for the design and integration of advanced heterostructures with controllable multifunctionalities for sensing and imaging system applications.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Epitaxial stabilization and phase instability of VO 2 polymorphs

The VO 2 polymorphs, i.e., VO 2 (A), VO 2 (B), VO 2 (M1) and VO 2 (R), have a wide spectrum of functionalities useful for many potential applications in information and energy technologies. However, synthesis of phase pure materials, especially in thin film forms, has been a challenging task due to the fact that the VO 2 polymorphs are closely related to each other in a thermodynamic framework. Here, we report epitaxial stabilization of the VO 2 polymorphs to synthesize high quality single crystalline thin films and study the phase stability of these metastable materials. We selectively deposit all the phases on various perovskite substrates with different crystallographic orientations. By investigating the phase instability, phonon modes and transport behaviours, not only do we find distinctively contrasting physical properties of the VO 2 polymorphs, but that the polymorphs can be on the verge of phase transitions when heated as low as ~400 °C. In conclusion, our successful epitaxy of both VO 2 (A) and VO 2 (B) phases, which are rarely studied due to the lack of phase pure materials, will open the door to the fundamental studies of VO 2 polymorphs for potential applications in advanced electronic and energy devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Oxygen vacancies controlled multiple magnetic phases in epitaxial single crystal Co 0.5 (Mg 0.55 Zn 0.45 ) 0.5 O 1-v thin films

High quality single-crystal fcc-Co x (Mg y Zn 1-y ) 1-x O 1-v epitaxial thin films with high Co concentration up to x = 0.5 have been fabricated by molecular beam epitaxy. Systematic magnetic property characterization and soft X-ray absorption spectroscopy analysis indicate that the coexistence of ferromagnetic regions, superparamagnetic clusters, and non-magnetic boundaries in the as-prepared Co x (Mg y Zn 1-y ) 1-x O 1-v films is a consequence of the intrinsic inhomogeneous distribution of oxygen vacancies. Furthermore, the relative strength of multiple phases could be modulated by controlling the oxygen partial pressure during sample preparation. Armed with both controllable magnetic properties and tunable band-gap, Co x (Mg y Zn 1-y ) 1-x O 1-v films may have promising applications in future spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Flexible GaAs solar cells on roll-to-roll processed epitaxial Ge films on metal foils: a route towards low-cost and high-performance III–V photovoltaics

In this work, we describe a unique roll-to-roll plasma-enhanced chemical vapor deposition (R2R-PECVD) technique to grow high-quality single-crystalline-like Ge films on flexible metal foils, an important advancement towards scalable processing of epitaxial Ge films at low-cost. Ion-beam assisted deposition was used to create single-crystalline-like substrate templates to enable epitaxial growth of Ge films. The Ge films were highly (004) oriented, biaxially-textured and showed remarkable crystalline quality, equivalent to single-crystal Ge wafers. Subsequently, the Ge films on metal foils were used as substrates to fabricate flexible GaAs single-junction solar cell by metal-oxide chemical vapor deposition (MOCVD). The champion device showed efficiency of 11.5%, and the average efficiency of four devices was 8% at 1 sun, the highest reported on GaAs PV directly deposited on alternative flexible substrates. Devices made on CVD-Ge film exhibited significantly improved performance compared to the ones grown on sputtered Ge films. Scalable production of inexpensive and flexible epi-Ge films will not only be useful for developing low-cost and high-performance III–V solar cells, but also for emerging flexible electronic devices applications.

14 SOLAR ENERGY↗
DOE OSTI2018

van der Waals epitaxy of highly (111)-oriented BaTiO 3 on MXene

Here, we report on the high temperature thin film growth of BaTiO 3 on Ti 3 C 2 T x MXene flakes using van der Waals epitaxy on a degradable template layer. MXene was deposited on amorphous and crystalline substrates by spray- and dip-coating techniques, while the growth of BaTiO 3 at 700 °C was accomplished using pulsed laser deposition in an oxygen rich environment. We demonstrate that the MXene flakes act as a temporary seed layer, which promotes highly oriented BaTiO 3 growth along the (111) direction independent of the underlying substrate. The lattice parameters of the BaTiO 3 films are close to the bulk value suggesting that the BaTiO 3 films remains unstrained, as expected for van der Waals epitaxy. The initial size of the MXene flakes has an impact on the orientation of the BaTiO 3 films with larger flake sizes promoting a higher fraction of the polycrystalline film to grow along the (111) direction. The deposited BaTiO 3 film adopts the same morphology as the original flakes and piezoresponse force microscopy shows a robust ferroelectric behavior for individual grains. Transmission electron microscopy results indicate that the Ti 3 C 2 T x MXene fully decomposes during the BaTiO3 deposition and the surplus Ti atoms are readily incorporated into the BaTiO 3 film. Electrical measurements show a similar dielectric constant as a BaTiO 3 film grown without the MXene seed layer. The demonstrated process has the potential to overcome the longstanding issue of integrating highly oriented complex oxide thin films directly on any desired substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Revealing interfacial disorder at the growth-front of thick many-layer epitaxial graphene on SiC: a complementary neutron and X-ray scattering investigation

Epitaxial graphene on SiC provides both an excellent source of high-quality graphene as well as an architecture to support its application. Although single-layer graphene on Si-face SiC has garnered extensive interest, many-layer graphene produced on C-face SiC could be significantly more robust for enabling applications. Little is known, however, about the structural properties related to the growth evolution at the buried interface for thick many-layer graphene. Using complementary X-ray scattering and neutron reflectivity as well as electron microscopy, we demonstrate that thick many-layer epitaxial graphene exhibits two vastly different length-scales of the buried interface roughness as a consequence of the Si sublimation that produces the graphene. Over long lateral length-scales the roughness is extremely large (hundreds of Å) and it varies proportionally to the number of graphene layers. In contrast, over much shorter lateral length-scales we observe an atomically abrupt interface with SiC terraces. Graphene near the buried interface exhibits a slightly expanded interlayer spacing (~1%) and fluctuations of this spacing, indicating a tendency for disorder near the growth front. Nevertheless, Dirac cones are observed from the graphene while its domain size routinely reaches micron length-scales, indicating the persistence of high-quality graphene beginning just a short distance away from the buried interface. Discovering and reconciling the different length-scales of roughness by reflectivity was complicated by strong diffuse scattering and we provide a detailed discussion of how these difficulties were resolved. The insight from this analysis will be useful for other highly rough interfaces among broad classes of thin-film materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Epitaxial nanotwinned metals and alloys: synthesis-twin structure–property relations

Extensive studies have been performed to understand the structure–property relationship in nanotwinned (NT) metals, where the average twin thickness or twin spacing is less than 100 nm. NT metals may have high strength, ductility, good electrical conductivity and corrosion resistance and have promising applications in microelectronics, structural materials and coatings for gas and oil industry. Most prior studies focus on the computational and experimental investigations of NT metals with low stacking fault energy (SFE) and often in polycrystalline forms. In this highlight, we review recent findings on epitaxial growth of NT metals and alloys with low and high SFEs deposited on single crystal substrates, and focus primarily on advancing our comprehension towards tailoring the microstructures and properties of NT metals via extrinsic factors, including the synthesis technique, parametric control and growth template, and intrinsic factors, such as SFE and thermodynamic, kinetic alloying effects. The review intends to illuminate how to synthesize and design epitaxial NT structures to achieve desirable properties.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Correlation between oxygen evolution reaction activity and surface compositional evolution in epitaxial La 0.5 Sr 0.5 Ni 1– x Fe x O 3– δ thin films

Water electrolysis can use renewable electricity to produce green hydrogen, a portable fuel and sustainable chemical precursor. Improving electrolyzer efficiency hinges on the activity of the oxygen evolution reaction (OER) catalyst. Earth-abundant, ABO 3 -type perovskite oxides offer great compositional, structural, and electronic tunability, with previous studies showing compositional substitution can increase the OER activity drastically. However, the relationship between the tailored bulk composition and that of the surface, where OER occurs, remains unclear. Here, we study the effects of electrochemical cycling on the OER activity of La 0.5 Sr 0.5 Ni 1– x Fe x O 3– δ ( x = 0–0.5) epitaxial films grown by oxide molecular beam epitaxy as a model Sr-containing perovskite oxide. In this work, electrochemical testing and surface-sensitive spectroscopic analyses show Ni segregation, which is affected by electrochemical history, along with surface amorphization, coupled with changes in OER activity. Our findings highlight the importance of surface composition and electrochemical cycling conditions in understanding OER performance, suggesting common motifs of the active surface with high surface area systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Epitaxial heterointerfacial electron bridge synchronizes oxygen evolution activity and stability on a layered double hydroxide surface

Scalable green hydrogen production via electrocatalytic water splitting is largely restricted by the insufficient activity and stability of oxygen evolution reaction (OER) catalysts at the anode. As a class of the most active OER catalysts in alkaline electrolyzers, the application of layered double hydroxides (LDHs) remains a main challenge owing to the unstable lattice oxygen dissolution due to the dominant lattice oxygen-involving OER mechanism during long-term operation. Herein, we found that using an epitaxial hetero-interfacing nickel hydroxide (namely Ni(OH) 2 ) as an electron bridge between an active FeCo LDH and Ni foam support to form an LDH*/NFO catalyst, the electronic storage capacity around the Fermi level (-0.5 to +0.5 eV, e-D FE ) sharply increases from 0.93 per cell to 1.51 per cell. Subsequently, we demonstrate that this high e-D FE enables ceaseless and fast power injection into the kinetic process of intermediate species conversion and inhibits lattice oxygen dissolution in the active FeCo LDH. Consequently, it demonstrated a low OER overpotential of 246 mV at a current density of 100 mA cm -2 and ultrahigh stability for up to 3500 hours with an ultraslow overpotential increase rate of 9.4 × 10 -3 mV h -1 . Therefore, we developed an epitaxial hetero-interfacial electron bridging strategy to synchronize the activity and stability of available catalysts for scalable green hydrogen production via electrocatalytic water splitting.

25 ENERGY STORAGE↗
DOE OSTI2024

Imaging of voltage-controlled switching of magnetization in highly magnetostrictive epitaxial Fe–Ga microstructures

The magnetoelectric behavior of epitaxial Fe–Ga microstructures on top of a (001)-oriented PMN–PT piezoelectric substrate is imaged with magnetic X-ray microscopy. Additionally, the micron-scale strain distribution in PMN–PT is characterized by X-ray microdiffraction and examined with respect to the results of the Fe–Ga magnetoelectric switching. The magnetic reorientation of Fe–Ga is found to be strongly correlated with size, shape, and crystallographic orientation of the microstructures. In the case of square-shaped structures, size dictates the influence of the strain distribution on both the initialization of the ground state and on the magnetic reorientation during application of voltage. On the other hand, elliptical microstructures demonstrate completely different magnetic responses depending on the relative orientation of their long axis with respect to the crystallographic directions of the PMN–PT. This study demonstrates that engineering the behavior of highly magnetostrictive epitaxial microdevices is possible. It further elucidates that voltage-induced actuation can be largely tuned to achieve the desired type of magnetic switching ranging from vortex circulation reversal, domain wall motion, to a large rotation of magnetization. Because of the outstanding properties of the investigated material system, the reported findings are expected to be of great interest for the realization of next-generation energy-efficient magnetic memory and logic devices.

42 ENGINEERING↗
DOE OSTI2012

Epitaxial (111) films of Cu, Ni, and Cu{sub x}Ni{sub y} on {alpha}-Al{sub 2}O{sub 3} (0001) for graphene growth by chemical vapor deposition

Films of (111)-textured Cu, Ni, and Cu{sub x}Ni{sub y} were evaluated as substrates for chemical vapor deposition of graphene. A metal thickness of 400 nm to 700 nm was sputtered onto a substrate of {alpha}-Al{sub 2}O{sub 3}(0001) at temperatures of 250 Degree-Sign C to 650 Degree-Sign C. The films were then annealed at 1000 Degree-Sign C in a tube furnace. X-ray and electron backscatter diffraction measurements showed all films have (111) texture but have grains with in-plane orientations differing by 60 Degree-Sign . The in-plane epitaxial relationship for all films was [110]{sub metal}||[1010]{sub Al{sub 2O{sub 3}}}. Reactive sputtering of Al in O{sub 2} before metal deposition resulted in a single in-plane orientation over 97% of the Ni film but had no significant effect on the Cu grain structure. Transmission electron microscopy showed a clean Ni/Al{sub 2}O{sub 3} interface, confirmed the epitaxial relationship, and showed that formation of the 60 Degree-Sign twin grains was associated with features on the Al{sub 2}O{sub 3} surface. Increasing total pressure and Cu vapor pressure during annealing decreased the roughness of Cu and Cu{sub x}Ni{sub y} films. Graphene grown on the Ni(111) films was more uniform than that grown on polycrystalline Ni/SiO{sub 2} films, but still showed thickness variations on a much smaller length scale than the distance between grains.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Nanoimprint-lithography patterned epitaxial Fe nanowire arrays with misaligned magnetocrystalline and shape anisotropies

We fabricated large area (>1 × 1 cm 2 ), epitaxial Fe nanowire arrays on MgO(001) substrates by nanoimprint lithography with a direct metallization of epitaxial materials through a metallic mask, which avoided the disadvantageous metal-etching process in conventional methods. The magnetization reversals, as revealed by magneto-optic Kerr effect, showed competing effects between Fe cubic magnetocrystalline anisotropy and lithographically induced uniaxial shape anisotropy. Unlike the weakly induced uniaxial anisotropy observed in continuous films, both the magnitude and direction of the uniaxial shape anisotropy can be easily modulated in the nanowires. Complex magnetization reversal processes including two-step and three-step loops were observed when magnetizing the samples along different Fe cubic easy axes, respectively. Finally, these modified magnetization reversal processes were explained by the nucleation and propagation of the domain walls along the non-superimposed easy axes of the competing magnetocrystalline and shape anisotropies.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2013

Cr(110) texture induced by epitaxy on Al 2 O 3 (0001) substrates: Preferential grain growth in the ⟨001⟩ direction

Chromium exhibits (110) textured growth on Al 2 O 3 (0001) substrates induced by epitaxy. Epitaxy occurs in nine distinct orientations, leading to a polycrystalline film of grains with (110) out-of-plane orientation but different in-plane orientations. For e-beam evaporated films, scanning electron microscopy shows acicular Cr grains elongated in the 001 direction. Grain boundaries occur along (110) and (110) planes, which is explained by the low surface energy of {110} planes in the bcc structure. The direction of the long axes of the grains relative to the substrate is defined by the underlying hexagonal symmetry of the substrate, leading to a unique tri-directional microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Strain-relaxation and critical thickness of epitaxial La 1.85 Sr 0.15 CuO 4 films

We report the thickness-dependent strain-relaxation behavior and the associated impacts upon the superconductivity in epitaxial La 1.85 Sr 0.15 CuO 4 films grown on different substrates, which provide a range of strain. We have found that the critical thickness for the onset of superconductivity in La 1.85 Sr 0.15 CuO 4 films is associated with the finite thickness effect and epitaxial strain. In particular, thin films with tensile strain greater than ~0.25% revealed no superconductivity. We attribute this phenomenon to the inherent formation of oxygen vacancies that can be minimized via strain relaxation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

High ferroelectric polarization in c-oriented BaTiO 3 epitaxial thin films on SrTiO 3 /Si(001)

The integration of epitaxial BaTiO 3 films on silicon, combining c-orientation, surface flatness, and high ferroelectric polarization is of main interest towards its use in memory devices. This combination of properties has been only achieved so far by using yttria-stabilized zirconia buffer layers. Here, the all-perovskite BaTiO 3 /LaNiO 3 /SrTiO 3 heterostructure is grown monolithically on Si(001). The BaTiO 3 films are epitaxial and c-oriented and present low surface roughness and high remnant ferroelectric polarization around 6 μC/cm 2 . Lastly, this result paves the way towards the fabrication of lead-free BaTiO 3 ferroelectric memories on silicon platforms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Enhanced metallic properties of SrRuO 3 thin films via kinetically controlled pulsed laser epitaxy

Metal electrodes are a universal element of all electronic devices. Conducting SrRuO 3 (SRO) epitaxial thin films have been extensively used as electrodes in complex-oxide heterostructures due to good lattice mismatches with perovskite substrates. However, when compared to SRO single crystals, SRO thin films have shown reduced conductivity and Curie temperatures (T C ), which can lead to higher Joule heating and energy loss in the devices. In this paper, we report that high-quality SRO thin films can be synthesized by controlling the plume dynamics and growth rate of pulsed laser epitaxy (PLE) with real-time optical spectroscopic monitoring. The SRO thin films grown under the kinetically controlled conditions, down to ca. 16 nm in thickness, exhibit both enhanced conductivity and T C as compared to bulk values, due to their improved stoichiometry and a strain-mediated increase of the bandwidth of Ru 4d electrons. Finally, this result provides a direction for enhancing the physical properties of PLE-grown thin films and paves a way to improved device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2016

High-efficiency AlGaInP solar cells grown by molecular beam epitaxy

AlGaInP is an ideal material for ultra-high efficiency, lattice-matched multi-junction solar cells grown by molecular beam epitaxy (MBE) because it can be grown lattice-matched to GaAs with a wide 1.9–2.2 eV bandgap. Despite this potential, AlGaInP grown by molecular beam epitaxy (MBE) has yet to be fully explored, with the initial 2.0 eV devices suffering from poor performance due to low minority carrier diffusion lengths in both the emitter and base regions of the solar cell. In this work, we show that implementing an AlGaInP graded layer to introduce a drift field near the front surface of the device enabled greatly improved internal quantum efficiency (IQE) across all wavelengths. In addition, optimizing growth conditions and post-growth annealing improved the long-wavelength IQE and the open-circuit voltage of the cells, corresponding to a 3× increase in diffusion length in the base. Taken together, this work demonstrates greatly improved IQE, attaining peak values of 95%, combined with an uncoated AM1.5G efficiency of 10.9%, double that of previously reported MBE-grown devices.

Faucher, J.↗
DOE OSTI2017

Thin-film GaN Schottky diodes formed by epitaxial lift-off

The performance of thin-film GaN Schottky diodes fabricated using a large-area epitaxial lift-off (ELO) process is reported in this work. Comparison of the device characteristics before and after lift-off processing reveals that the Schottky barrier height remains unchanged by the liftoff processing and is consistent with expectations based on metal-semiconductor work function differences, with a barrier height of approximately 1 eV obtained for Ni/Au contacts on n− GaN. However, the leakage current in both reverse and low-forward-bias regimes is found to improve significantly after ELO processing. Likewise, the ideality factor of the Schottky diodes also improves after ELO processing, decreasing from n = 1.12–1.18 before ELO to n = 1.04–1.10 after ELO. A possible explanation for the performance improvement obtained for Schottky diodes after substrate removal by ELO processing is the elimination of leakage paths consisting of vertical leakage along threading dislocations coupled with lateral conduction through the underlying n+ buffer layer that is removed in the ELO process. Epitaxial liftoff with GaN may enable significant improvement in device performance and economics for GaN-based electronics and optoelectronics.

Wang, Jingshan↗