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At least 1,261 records · Page 70
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DOE OSTI2016

Optical investigations of Be doped ZnO films grown by molecular beam epitaxy

Highlights: • The optical properties of Be doped ZnO films were investigated. • Low temperature photoluminescence spectrum was dominated by D°X and DAP emissions. • Shallow acceptor state with ionization energy of 116 meV was found in ZnO:Be films. • It is suggested that the incorporated Be atom might favor formation of Zn vacancies defects. • This work demonstrates that N doping BeZnO might be suitable for fabricating reliable p-type ZnO materials. - Abstract: In this article, the optical properties of ZnO:Be films grown by plasma-assisted molecular beam epitaxy were investigated by the excitation density-dependent and temperature-dependent photoluminescence measurements. The low temperature photoluminescence spectra showed a dominant excitons bound to neutral donors (D°X) emission centered at 3.3540 eV and strong donor-acceptor pair (DAP) transitions at 3.3000 eV. In addition, it showed that the intensity ratio of the DAP and D°X peaks changed with background electron concentration. Furthermore, a shallow acceptor state with ionization energy of 116 meV was found and attributed to Zn vacancy. The present study further suggests that Be and N codoping ZnO might be suitable for fabricating reliable p-type ZnO materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Epitaxial aluminum layer on antimonide heterostructures for exploring Josephson junction effects

In this study, we present results of our recent work of epitaxially-grown aluminum (epi-Al) on antimonide heterostructures, where the epi-Al thin film is grown at either room temperature or below zero °C. A sharp superconducting transition at T ∼ 1.3 K is observed in these epi-Al films. We further show that supercurrent states are realized in Josephson junctions fabricated in the epi-Al/antimonide heterostructures with mobility μ ∼ 1.0 × 10 6 cm 2 /Vs. These results clearly demonstrate we have achieved growing high-quality epi-Al/antimonide heterostructures, a promising platform for the exploration of Josephson junction effects for quantum information science and microelectronics applications.

Antimonide heterostructures↗
DOE OSTI2016

Analysis of performance-limiting defects in $pn$ junction GaAs solar cells grown by water-mediated close-spaced vapor transport epitaxy

Precursor and substrate costs currently limit the adoption of III-V photovoltaics for large scale manufacturing. In this paper we use water-mediated close-spaced vapor transport (CSVT) to produce homojunction GaAs devices with pressed GaAs powder as an alternative to expensive gas-phase precursors. These unpassivated devices reach V oc >910 mV, demonstrating the plausibility of CSVT as an alternative method for growth of III-V epitaxial films for photovoltaic devices. We find that Zn-doping of the absorber films decreases after a number of growths cycles using a single source, which suggests an alternative transport agent should be investigated for p-type doping. Performance of these solar cells is largely limited by formation of macroscopic surface defects which we find to be caused by particulate transfer from the source material and the formation of oxide phases during growth. We present strategies for mitigating these defects and improving device performance.

14 SOLAR ENERGY↗
DOE OSTI2019

Uniformity of GaAs solar cells grown in a kinetically-limited regime by dynamic hydride vapor phase epitaxy

We demonstrate solar cell devices grown on 50 mm diameter GaAs substrates by dynamic hydride vapor phase epitaxy (D-HVPE). In contrast to our prior D-HVPE devices, grown at 650 °C in a transport-limited regime, these devices were grown at 700 °C in a kinetically-limited growth regime in which the growth rate uniformity is controlled by thermally-activated surface reactions. These devices exhibit open-circuit voltages up to 1.07 V, nearly identical performance to the devices grown at lower temperature in a different growth regime. We evaluate the uniformity of device performance and find only a 1% variation in absolute, device efficiency across the majority of the wafer in devices without anti-reflection coating. We analyze the GaAs and GaInP thickness uniformity and GaInP compositional uniformity, using high-tresolution x-ray diffraction mapping, and find that any non-uniformity in device efficiency is not related to variations in these structural parameters. We combine three-dimensional computational fluid dynamics modeling of our reactor with a kinetic model for GaAs growth, and use the combined model to predict spatial GaAs growth rate over a 50 mm wafer area. We compare these predictions with experimental data from our D-HVPE reactor and find excellent agreement. We use the model to the gain insight into the specific mechanisms that control GaAs spatial uniformity in the kinetically-limitedgrowth regime. Furthermore, these results suggest a large parameter window for the growth of high-performance optoelectronic devices by D-HVPE, possibly with large area uniformity.

14 SOLAR ENERGY↗
DOE OSTI2023

Topological band gap in intercalated epitaxial graphene

The study of functional manipulation of graphene is a critical subject, both for fundamental research and practical applications. In this study, we present that the intercalation of 5d transition metals into epitaxial graphene on SiC is a promising strategy for the realization of topologically nontrivial phases with a finite band gap in graphene. Employing first-principles calculations, grounded in density functional theory, we demonstrate that Re- and Ta-intercalated graphene evolve into two-dimensional topological insulators. These exhibit linear Dirac cones and quadratic bands with topological band gaps, respectively. The emergence of these topological states is attributed to the strong spin–orbit coupling strength of the intercalants. We show that the corresponding topological edge states persist within the finite bulk band gap, aligning with the bulk-boundary correspondence. Furthermore, we explore the spin splitting of the band structure, brought about by the inversion symmetry breaking and the spin–orbit coupling. Finally, our study underscores that the intercalation of graphene is an effective and a feasible approach for manipulating the band gap and the topological nature of graphene. Such intercalated graphene systems hold potential utility for spintronics and low-dimensional quantum device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Epitaxial growth of oriented CoO films by radio-frequency sputtering deposition

Rock-salt CoO is a p-type semiconductor and its Neel temperature is close to room temperature. CoO-based compounds are known as promising systems for renewable energy harvest with high efficiency. CoO with catalytic and exchange bias properties can be widely used for industrial applications. In this paper, we report high-quality stable CoO(111) and (100) films epitaxially grown on c-cut (0001) and r-cut ($10\bar1$2) alpha-Al 2 O 3 substrates, respectively, using radio-frequency sputtering deposition. X-ray diffraction (XRD) measurements revealed that the CoO films had a rock-salt structure (Fm3m) with lattice constants of 4.2477 Å and 4.2617 Å for film grown on (0001) and ($10\bar1$2) α-Al 2 O 3 substrates, respectively. CoO films with the best crystal quality were grown at a substrate temperature of similar to ~700°C. XRD measurements of CoO(111) films indicated a lack of structural residual strain, whereas CoO(100) films had substantial amounts of structural strain. X-ray reflectivity (XRR) and transmission electron microscopy measurements showed neither oxygen vacancy nor defects in both CoO(111) and (100) films. Further, XRR revealed that the mean electron density of the CoO films was nearly identical to a pure CoO and that the films were considerably stable under the atmosphere.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Mechanisms of Three-Dimensional Solid-Phase Epitaxial Crystallization of Strontium Titanate

Strontium titanate (SrTiO 3 , STO) is a complex metal oxide with a cubic perovskite crystal structure. Due to its easily described and understood crystal structure in the cubic phase, STO is an ideal model system for exploring the mechanistic details of solid-phase epitaxy (SPE) in complex oxides. SPE is a crystallization approach that aims to guide crystal growth at low homologous temperatures to achieve targeted microstructures. Beyond planar thin films, SPE can also exploit the addition of a chemically inert, noncrystallizing, amorphous obstacle in the path of crystallization to generate complex three-dimensional structures. The introduction of this mask fundamentally alters the SPE process, inducing a transition from two- to three-dimensional geometries and from vertical to lateral crystal growth under the influence of the crystal/mask/amorphous boundary. Using a combination of molecular dynamics simulations and experiments, we identify several unique phenomena in the nanoscale growth behaviors in both conventional (unmasked) and masked SPE. Examining conventional SPE of STO, we find that crystallization at the interface is strongly correlated to, and potentially driven by, density fluctuations in the region of the amorphous STO near the crystalline/amorphous interface with a strong facet dependence. In the masked case, we find that the crystalline growth front becomes nonplanar near contact with the mask. We also observe a minimum vertical growth requirement prior to lateral crystallization. Both phenomena depend on the relative bulk and interfacial free energies of the three-phase (crystal/mask/amorphous) system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Heteroepitaxial Integration of ZnGeN 2 on GaN Buffers Using Molecular Beam Epitaxy

Recently theorized hybrid II-IV-N 2 /III-N heterostructures, based on current commercialized (In,Ga)N devices, are predicted to significantly advance the design space of highly efficient optoelectronics in the visible spectrum, yet there are few epitaxial studies of II-IV-N 2 materials. In this work, we present heteroepitaxial ZnGeN 2 grown on GaN buffers and AlN templates. We demonstrate that a GaN nucleating surface is crucial for increasing the ZnGeN 2 crystallization rate to combat Zn desorption, extending the stoichiometric growth window from 215 degrees C on AlN to 500 degrees C on GaN buffers. Structural characterization reveals well-crystallized films with threading dislocations extending from the GaN buffer. These films have a critical thickness for relaxation of 20-25 nm as determined by reflection high energy electron diffraction (RHEED) and cross-sectional scanning electron microscopy (SEM). The films exhibit a cation-disordered wurtzite structure, with lattice constants a = 3.216 +/- 0.004 A and c = 5.215 +/- 0.005 A determined by RHEED and X-ray diffraction (XRD). This work demonstrates a significant step toward the development of hybrid ZnGeN 2 -GaN integrated devices.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Epitaxial Growth of Gibbsite Sheets on the Basal Surface of Muscovite Mica

The growth of aluminum (oxyhydr)oxide films on the basal surface of muscovite mica is an excellent model system for studying mineral nucleation, growth, and reactivity. Using off-specular crystal truncation rod X-ray scattering, we have determined the atomic-scale epitaxial relationships between muscovite and monolayer overgrowths of a gibbsite-like material. Here, we observe that dioctahedral sheets of aluminum (oxyhydr)oxide grow in three structurally distinct domains, separated by antiphase boundaries. Vacancies in the dioctahedral sheets overlie either the silicate tetrahedra or the ditrigonal cavities of the underlying muscovite surface. High-resolution atomic force microscopy indicates lateral island sizes of ~10 nm separated by 1–2 nm spaces. Together, the X-ray and microscopy data provide insights into the coordination chemistry and morphology of films formed by heterogeneous nucleation and growth.

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

Room-Temperature Ferroelectric Epitaxial Nanowire Arrays with Photoluminescence

The development of large-scale, high-quality ferroelectric semiconductor nanowire arrays with interesting light-emitting properties can address limitations in traditional wide-bandgap ferroelectrics, thus serving as building blocks for innovative device architectures and next-generation high-density optoelectronics. Here, we investigate the optical properties of ferroelectric CsGeX 3 (X = Br, I) halide perovskite nanowires that are epitaxially grown on muscovite mica substrates by vapor phase deposition. Detailed structural characterizations reveal an incommensurate heteroepitaxial relationship with the mica substrate. Furthermore, photoluminescence that can be tuned from yellow-green to red emissions by varying the halide composition demonstrates that these nanowire networks can serve as platforms for future optoelectronic applications. In addition, the room-temperature ferroelectricity and ferroelectric domain structures of these nanowires are characterized using second harmonic generation (SHG) polarimetry. Finally, the combination of room-temperature ferroelectricity with photoluminescence in these nanowire arrays unlocks new avenues for the design of novel multifunctional materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Cold Seeded Epitaxy and Flexomagnetism in GdAuGe Membranes Exfoliated From Graphene/Ge(111)

Remote and van der Waals epitaxy are promising approaches for synthesizing single crystalline membranes for flexible electronics and discovery of new properties via extreme strain; however, a fundamental challenge is that most materials do not wet the graphene surface. We develop a cold seed approach for synthesizing smooth intermetallic films on graphene that can be exfoliated to form few nanometer thick single crystalline membranes. Our seeded GdAuGe films have narrow X-ray rocking curve widths of 9–24 arc seconds, which is 2 orders of magnitude lower than their counterparts grown by typical high temperature methods, and have atomically sharp interfaces observed by transmission electron microscopy. Upon exfoliation and rippling, strain gradients in GdAuGe membranes induce an antiferromagnetic to ferri/ferromagnetic transition. Finally, our smooth, ultrathin membranes provide a clean platform for discovering new flexomagnetic effects in quantum materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Layer Resolved Cr Oxidation State Modulation in Epitaxial SrFe 0.67 Cr 0.33 O 3−δ Thin Films

Understanding how doping influences physicochemical properties of ABO 3 perovskite oxides is critical for tailoring their functionalities. In this study, SrFe 0.67 Cr 0.33 O 3−δ epitaxial thin films were used to examine the effects of Fe and Cr competition on structure and B-site cation oxidation states. The films exhibit a perovskite-like structure near the film/substrate interface, while a brownmillerite-like structure with horizontal oxygen vacancy channels predominates near the surface. Electron energy loss spectroscopy shows Fe remains Fe 3+ , while Cr varies from ∼Cr 3+ (tetrahedral layers) to ∼Cr 4+ (octahedral layers) within brownmillerite phases and becomes ∼Cr 4.5+ in perovskite-like phases. Theoretical simulations indicate that Cr–O bond arrangements and the way oxygen vacancies interact with Cr and Fe drive Cr charge disproportionation. High-valent Cr cations introduce additional densities of states near the Fermi level, reducing the optical bandgap from ∼2.0 eV (SrFeO 2.5 ) to ∼1.7 eV (SrFe 0.67 Cr 0.33 O 3−δ ). In conclusion, these findings offer insights into B-site cation doping in the perovskite oxide framework.

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

Monolayer PtSe 2 , a New Semiconducting Transition-Metal-Dichalcogenide, Epitaxially Grown by Direct Selenization of Pt

For single-layer transition-metal dichalcogenides (TMDs) receive significant attention due to their intriguing physical properties for both fundamental research and potential applications in electronics, optoelectronics, spintronics, catalysis, and so on. Here, we demonstrate the epitaxial growth of high-quality single-crystal, monolayer platinum diselenide (PtSe2), a new member of the layered TMDs family, by a single step of direct selenization of a Pt(111) substrate. We found that a combination of atomic-resolution experimental characterizations and first-principle theoretic calculations reveals the atomic structure of the monolayer PtSe2/Pt(111). Angle-resolved photoemission spectroscopy measurements confirm for the first time the semiconducting electronic structure of monolayer PtSe2 (in contrast to its semimetallic bulk counterpart). The photocatalytic activity of monolayer PtSe2 film is evaluated by a methylene-blue photodegradation experiment, demonstrating its practical application as a promising photocatalyst. Moreover, circular polarization calculations predict that monolayer PtSe2 has also potential applications in valleytronics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Dichotomous Temperature Response in the Electronic Structure of Epitaxially Grown Altermagnet MnTe

The altermagnet candidate MnTe has recently gained significant interest due to its unconventional magnetic ordering. One of the key features of altermagnetism is the momentum-dependent spin-split band and its temperaturedependent evolution. Yet a fully momentum-resolved experimental investigation, including out-of-plane direction, is still lacking. Here, we systematically investigate the electronic structure of epitaxially grown MnTe by using angle-resolved photoemission spectroscopy (ARPES). Our photon-energy-dependent ARPES data reveal significant out-of-plane dispersions consistent with previous theoretical calculations. More interestingly, we identify two distinct temperature-dependent electronic band structure evolutions at different out-of-plane momentum positions: momentum-dependent energy shifts at the nodal plane and substantial spectral weight suppression at the off-nodal plane. These findings may suggest the importance of considering both the itinerant and localized nature of the magnetic ordering and momentum-dependent interactions. Our work provides crucial insights into the complex correlation between momentum, temperature, and electronic structure in MnTe, contributing to a deeper understanding of altermagnetism.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Persistent electrochemical performance in epitaxial VO 2 (B)

Discovering high-performance energy storage materials is indispensable for renewable energy, electric vehicle performance, and mobile computing. Owing to the open atomic framework and good room temperature conductivity, bronze-phase vanadium dioxide [VO 2 (B)] has been regarded as a highly promising electrode material for Li ion batteries. However, previous attempts were unsuccessful to show the desired cycling performance and capacity without chemical modification. Here, we show with epitaxial VO 2 (B) films that one can accomplish the theoretical limit for capacity with persistent charging–discharging cyclability owing to the high structural stability and unique open pathways for Li ion conduction. Atomic-scale characterization by scanning transmission electron microscopy and density functional theory calculations also reveal that the unique open pathways in VO 2 (B) provide the most stable sites for Li adsorption and diffusion. Furthermore, this work ultimately demonstrates that VO 2 (B) is a highly promising energy storage material and has no intrinsic hindrance in achieving superior cyclability with a very high power and capacity in a Li-ion conductor.

25 ENERGY STORAGE↗
DOE OSTI2018

Ultralow Damping in Nanometer-Thick Epitaxial Spinel Ferrite Thin Films

Pure spin currents, unaccompanied by dissipative charge flow, are essential for realizing energy-efficient nanomagnetic information and communications devices. Thin-film magnetic insulators have been identified as promising materials for spin-current technology because they are thought to exhibit lower damping compared with their metallic counterparts. However, insulating behavior is not a sufficient requirement for low damping, as evidenced by the very limited options for low-damping insulators. Here, we demonstrate a new class of nanometer-thick ultralow-damping insulating thin films based on design criteria that minimize orbital angular momentum and structural disorder. Specifically, we show ultralow damping in <20 nm thick spinel-structure magnesium aluminum ferrite (MAFO), in which magnetization arises from Fe 3+ ions with zero orbital angular momentum. Here, these epitaxial MAFO thin films exhibit a Gilbert damping parameter of ~0.0015 and negligible inhomogeneous linewidth broadening, resulting in narrow half width at half-maximum linewidths of ~0.6 mT around 10 GHz. Our findings offer an attractive thin-film platform for enabling integrated insulating spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Valley and Zeeman Splittings in Multilayer Epitaxial Graphene Revealed by Circular Polarization Resolved Magneto-infrared Spectroscopy

Circular-polarization-resolved magneto-infrared studies of multilayer epitaxial graphene (MEG) are performed using tunable quantum cascade lasers in high magnetic fields up to 17.5 T. Landau level (LL) transitions in the monolayer and bilayer graphene inclusions of MEG are resolved, and considerable electron–hole asymmetry is observed in the extracted electronic band structure. For monolayer graphene, a four-fold splitting of the $n$ = 0 to $n$ = 1 LL transition is evidenced and attributed to the lifting of the valley and spin degeneracy of the zeroth LL and the broken electron–hole symmetry. The magnetic field dependence of the splitting further reveals its possible mechanisms. The best fit to experimental data yields effective $g$-factors, $g^*_{vs}$ = 6.7 and $g^*_{ZS}$ = 4.8, for the valley and Zeeman splittings, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Interplay Between Strain and Thickness on the Effective Carrier Lifetime of Buffer-Mediated Epitaxial Germanium Probed by the Photoconductance Decay Technique

We report contactless effective minority carrier lifetime of epitaxially grown unstrained and in-plane <110> biaxially tensile-strained (001) germanium (..epsilon..-Ge) epilayers measured using microwave-reflectance photoconductance decay measurements. Strained Ge epilayers were grown using InxGa1-xAs linearly graded buffers on (001) GaAs substrates. Using homogeneous excitation of unstrained Ge epilayers, thickness-dependent separation of minority carrier lifetime components under low injection conditions yielded a bulk lifetime of 114 +/- 2 ns and low surface recombination velocity of 21.3 +/- 0.04 cm/s. More notably, an effective minority carrier lifetime of >100 ns obtained from sub-50 nm 1.6% tensile-strained Ge epilayers showed no degradation relative to the unstrained counterpart. Detailed material characterization using X-ray diffractometry revealed successful strain transfer of 0.61 and 0.89% to the Ge epilayers via InxGa1-xAs metamorphic buffers and confirms pseudomorphic growth. Lattice coherence observed at the e-Ge epilayer and InxGa1-xAs buffer heterointerfaces via transmission electron microscopy substantiates the prime material quality achieved. The relatively high carrier lifetimes achieved are an indicator of excellent material quality and provide a path forward to realize low-threshold Ge laser sources.

bulk lifetime↗