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DOE OSTI2015

Tailoring the optical constants in single-crystal silicon with embedded silver nanostructures for advanced silicon photonics applications

Plasmonic effects associated with metal nanostructures are expected to hold the key to tailoring light emission/propagation and harvesting solar energy in materials including single crystal silicon which remains the backbone in the microelectronics and photovoltaics industries but unfortunately, lacks many functionalities needed for construction of advanced photonic and optoelectronics devices. Currently, silicon plasmonic structures are practically possible only in the configuration with metal nanoparticles or thin film arrays on a silicon surface. This does not enable one to exploit the full potential of plasmonics for optical engineering in silicon, because the plasmonic effects are dominant over a length of ∼50 nm, and the active device region typically lies below the surface much beyond this range. Here, we report on a novel method for the formation of silver nanoparticles embedded within a silicon crystal through metal gettering from a silver thin film deposited at the surface to nanocavities within the Si created by hydrogen ion implantation. The refractive index of the Ag-nanostructured layer is found to be 3–10% lower or higher than that of silicon for wavelengths below or beyond ∼815–900 nm, respectively. Around this wavelength range, the optical extinction values increase by a factor of 10–100 as opposed to the pure silicon case. Increasing the amount of gettered silver leads to an increased extinction as well as a redshift in wavelength position for the resonance. This resonance is attributed to the surface plasmon excitation of the resultant silver nanoparticles in silicon. Additionally, we show that the profiles for optical constants in silicon can be tailored by varying the position and number of nanocavity layers. Such silicon crystals with embedded metal nanostructures would offer novel functional base structures for applications in silicon photonics, optoelectronics, photovoltaics, and plasmonics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Hydrogenated arsenenes as planar magnet and Dirac material

Arsenene and antimonene are predicted to have 2.49 and 2.28 eV band gaps, which have aroused intense interest in the two-dimensional (2D) semiconductors for nanoelectronic and optoelectronic devices. Here, the hydrogenated arsenenes are reported to be planar magnet and 2D Dirac materials based on comprehensive first-principles calculations. The semi-hydrogenated (SH) arsenene is found to be a quasi-planar magnet, while the fully hydrogenated (FH) arsenene is a planar Dirac material. The buckling height of pristine arsenene is greatly decreased by the hydrogenation, resulting in a planar and relatively low-mass-density sheet. The electronic structures of arsenene are also evidently altered after hydrogenating from wide-band-gap semiconductor to metallic material for SH arsenene, and then to Dirac material for FH arsenene. The SH arsenene has an obvious magnetism, mainly contributed by the p orbital of the unsaturated As atom. Such magnetic and Dirac materials modified by hydrogenation of arsenene may have potential applications in future optoelectronic and spintronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Origin of the visible emission of black silicon microstructures

Silicon, the mainstay semiconductor in microelectronics, is considered unsuitable for optoelectronic applications due to its indirect electronic band gap that limits its efficiency as light emitter. Here, we univocally determine at the nanoscale the origin of visible emission in microstructured black silicon by cathodoluminescence spectroscopy and imaging. We demonstrate the formation of amorphous silicon oxide microstructures with a white emission. The white emission is composed by four features peaking at 1.98 eV, 2.24 eV, 2.77 eV, and 3.05 eV. The origin of such emissions is related to SiO{sub x} intrinsic point defects and to the sulfur doping due to the laser processing. Similar results go in the direction of developing optoelectronic devices suitable for silicon-based circuitry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Silicon-nitride photonic circuits interfaced with monolayer MoS 2

Herein we report integration of monolayer molybdenum disulphide with silicon nitride microresonators assembled by visco-elastic layer transfer techniques. Evanescent coupling from the resonator mode to the monolayer is confirmed through measurements of cavity transmission. The absorption of the monolayer semiconductor flakes in this geometry is determined to be 850 dB/cm, which is larger than that of graphene and black phosphorus with the same thickness. This technique can be applied to diverse monolayer semiconductors for assembling hybrid optoelectronic devices such as photodetectors and modulators operating over a wide spectrum range.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Review of using gallium nitride for ionizing radiation detection

With the largest band gap energy of all commercial semiconductors, GaN has found wide application in the making of optoelectronic devices. It has also been used for photodetection such as solar blind imaging as well as ultraviolet and even X-ray detection. Unsurprisingly, the appreciable advantages of GaN over Si, amorphous silicon (a-Si:H), SiC, amorphous SiC (a-SiC), and GaAs, particularly for its radiation hardness, have drawn prompt attention from the physics, astronomy, and nuclear science and engineering communities alike, where semiconductors have traditionally been used for nuclear particle detection. Several investigations have established the usefulness of GaN for alpha detection, suggesting that when properly doped or coated with neutron sensitive materials, GaN could be turned into a neutron detection device. Work in this area is still early in its development, but GaN-based devices have already been shown to detect alpha particles, ultraviolet light, X-rays, electrons, and neutrons. Furthermore, the nuclear reaction presented by {sup 14}N(n,p){sup 14}C and various other threshold reactions indicates that GaN is intrinsically sensitive to neutrons. This review summarizes the state-of-the-art development of GaN detectors for detecting directly and indirectly ionizing radiation. Particular emphasis is given to GaN's radiation hardness under high-radiation fields.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2015

Formation of Ge nanoparticles in SiO{sub x}N{sub y} by ion implantation and thermal annealing

Germanium nanoparticles embedded within dielectric matrices hold much promise for applications in optoelectronic and electronic devices. Here we investigate the formation of Ge nanoparticles in amorphous SiO{sub 1.67}N{sub 0.14} as a function of implanted atom concentration and thermal annealing temperature. Using x-ray absorption spectroscopy and other complementary techniques, we show Ge nanoparticles exhibit significant finite-size effects such that the coordination number decreases and structural disorder increases as the nanoparticle size decreases. While the composition of SiO{sub 1.67}N{sub 0.14} is close to that of SiO{sub 2}, we demonstrate that the addition of this small fraction of N yields a much reduced nanoparticle size relative to those formed in SiO{sub 2} under comparable implantation and annealing conditions. We attribute this difference to an increase in an atomic density and a much reduced diffusivity of Ge in the oxynitride matrix. These results demonstrate the potential for tailoring Ge nanoparticle sizes and structural properties in the SiO{sub x}N{sub y} matrices by controlling the oxynitride stoichiometry.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO{sub 3}-buffered ferroelectric BaTiO{sub 3} film on GaAs

The integration of functional oxide thin-films on compound semiconductors can lead to a class of reconfigurable spin-based optoelectronic devices if defect-free, fully reversible active layers are stabilized. However, previous first-principles calculations predicted that SrTiO{sub 3} thin films grown on Si exhibit pinned ferroelectric behavior that is not switchable, due to the presence of interfacial vacancies. Meanwhile, piezoresponse force microscopy measurements have demonstrated ferroelectricity in BaTiO{sub 3} grown on semiconductor substrates. The presence of interfacial oxygen vacancies in such complex-oxide/semiconductor systems remains unexplored, and their effect on ferroelectricity is controversial. Here, we use a combination of aberration-corrected scanning transmission electron microscopy and first-principles density functional theory modeling to examine the role of interfacial oxygen vacancies on the ferroelectric polarization of a BaTiO{sub 3} thin film grown on GaAs. We demonstrate that interfacial oxygen vacancies enhance the polar discontinuity (and thus the single domain, out-of-plane polarization pinning in BaTiO{sub 3}), and propose that the presence of surface charge screening allows the formation of switchable domains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Identification of an organic semiconductor superlattice structure of pentacene and perfluoro-pentacene through resonant and non-resonant X-ray scattering

Highly crystalline and stable molecular superlattices are grown with the smallest possible stacking period using monolayers (MLs) of the organic semiconductors pentacene (PEN) and perfluoro-pentacene (PFP). Superlattice reflections in X-ray reflectivity and their energy dependence in resonant soft X-ray reflectivity measurements show that PFP and PEN MLs indeed alternate even though the coherent ordering is lost after ~ 4 ML. The observed lattice spacing of 15.9 Å in the superlattice is larger than in pure PEN and PFP films, presumably because of more upright standing molecules and lack of interdigitation between the incommensurate crystalline PEN and PFP layers. The findings are important for the development of novel organic quantum optoelectronic devices.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Epitaxial growth of three dimensionally structured III-V photonic crystal via hydride vapor phase epitaxy

Three-dimensional (3D) photonic crystals are one class of materials where epitaxy, and the resultant attractive electronic properties, would enable new functionalities for optoelectronic devices. Here we utilize self-assembled colloidal templates to fabricate epitaxially grown single crystal 3D mesostructured Ga{sub x}In{sub 1−x}P (GaInP) semiconductor photonic crystals using hydride vapor phase epitaxy (HVPE). The epitaxial relationship between the 3D GaInP and the substrate is preserved during the growth through the complex geometry of the template as confirmed by X-ray diffraction (XRD) and high resolution transmission electron microscopy. XRD reciprocal space mapping of the 3D epitaxial layer further demonstrates the film to be nearly fully relaxed with a negligible strain gradient. Fourier transform infrared spectroscopy reflection measurement indicates the optical properties of the photonic crystal which agree with finite difference time domain simulations. This work extends the scope of the very few known methods for the fabrication of epitaxial III-V 3D mesostructured materials to the well-developed HVPE technique.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Structure and photoluminescence properties of carbon nanotip-vertical graphene nanohybrids

We report on the effective enhancement and tuning of photoluminescence (PL) by combining vertical graphene nanoflakes (VGs) and carbon nanotips (CNTPs). The VGs are grown on the vertical CNTPs by hot filament chemical vapor deposition in the methane environment, where the CNTPs are synthesized on silicon substrates by CH{sub 4}-H{sub 2}-N{sub 2} plasma-enhanced hot filament chemical vapor deposition. The results of field emission scanning electron microscopy, transmission electron microscopy, micro-Raman spectroscopy, and X-ray photoelectron spectroscopy indicate that the VGs can be grown on the CNTP and silicon substrate surfaces with the orientation perpendicular to the surfaces of CNTPs and silicon substrates. The PL properties of VG, CNTP, and CNTP-VG structures are studied using a 325 nm line of He-Cd laser as the excitation source. The PL results indicate that the PL of VGs is enhanced by the CNTPs due to the increasing density of PL emitters, while the PL properties of the nanohybrid system can be tuned. Furthermore, the potential applications of CNTP-VG structures in optoelectronic devices are analyzed. These results contribute to the design of functional graphene-based materials and the development of next-generation optoelectronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Electrostatic properties of two-dimensional WSe{sub 2} nanostructures

Recently, two-dimensional transition metal dichalcogenides have intrigued much attention due to their promising applications in optoelectronics. The electrostatic property investigation of WSe{sub 2} nanostructures is essential for device application. Here, the interlayer screening effects of WSe{sub 2} nanoplates with different thicknesses were investigated by measuring surface potential employing Kelvin probe force microscopy. Simultaneously, charges can be injected into WSe{sub 2} nanoplate by means of conducting atomic force microscopy to tune the electrostatic properties of WSe{sub 2} nanostructures. Our experimental results have some important implications for improving performance of WSe{sub 2}-based optoelectronic devices through interface or surface engineering.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Ultrahigh sensitive MoTe{sub 2} phototransistors driven by carrier tunneling

Transition metal dichalcogenides (TMDs) demonstrate great potential in electronic and optoelectronic applications. However, the device performance remains limited because of the poor metal contact. Herein, we fabricate a high-performance ultrathin MoTe{sub 2} phototransistor. By introducing an electron tunneling mechanism, electron injection from electrode to channel is strikingly enhanced. The electron mobility approaches 25.2 cm{sup 2} V{sup −1} s{sup −1}, better than that of other back-gated MoTe{sub 2} FETs. Through electrical measurements at various temperatures, the electron tunneling mechanism is further confirmed. The MoTe{sub 2} phototransistor exhibits very high responsivity up to 2560 A/W which is higher than that of most other TMDs. This work may provide guidance to reduce the contact resistance at metal-semiconductor junction and pave a pathway to develop high-performance optoelectronic devices in the future.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Coexistence of negative photoconductivity and hysteresis in semiconducting graphene

Solution-processed graphene quantum dots (GQDs) possess a moderate bandgap, which make them a promising candidate for optoelectronics devices. However, negative photoconductivity (NPC) and hysteresis that happen in the photoelectric conversion process could be harmful to performance of the GQDs-based devices. So far, their origins and relations have remained elusive. Here, we investigate experimentally the origins of the NPC and hysteresis in GQDs. By comparing the hysteresis and photoconductance of GQDs under different relative humidity conditions, we are able to demonstrate that NPC and hysteresis coexist in GQDs and both are attributed to the carrier trapping effect of surface adsorbed moisture. We also demonstrate that GQDs could exhibit positive photoconductivity with three-order-of-magnitude reduction of hysteresis after a drying process and a subsequent encapsulation. Considering the pervasive moisture adsorption, our results may pave the way for a commercialization of semiconducting graphene-based and diverse solution-based optoelectronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2016

Investigation of electrical and optical properties of MEH-PPV: ZnO nanocomposite films for OLED applications

Recent investigations of the promising materials for optoelectronic have been demonstrated by introducing n-type inorganic material into conjugated polymer. The optical and electrical of nanocomposite films based on poly[2-methoxy-5-(2’-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV) and zinc oxide (ZnO) nanostructured of various deposition layers (1 to 3 layers) have been investigated. The MEH-PPV: ZnO nanocomposite films were deposited using spin-coating technique. The surface morphology nanocomposite films were characterized using field emission scanning electron microscope. From surface profiler measurement, we found that the thickness of nanocomposite films increased as deposition time increased. The optical properties were measured using photoluminescence spectroscope. The photoluminescence (PL) spectra showed that two deposition layers is the highest intensity at visible region (green emission) due to high energy transfer from particles to the polymer. The current density for two layers sample is due to aggregation of conjugated polymer chain hence form excited interchain exciton for optical excitation. This study will provide better performance and suitable for optoelectronic device especially OLEDs application.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2018

Nanoscale groove textured β -Ga 2 O 3 by room temperature inverse metal-assisted chemical etching and photodiodes with enhanced responsivity

β-Ga 2 O 3 is an emerging wide band-gap semiconductor that holds great promise for next generation power electronics and optoelectronics. β-Ga 2 O 3 based ultraviolet photodetectors have been the subject of active research for the last few years. However, no micro and nanostructure surface texturing has been demonstrated for efficient light management in β-Ga 2 O 3 optoelectronic applications yet. We hereby present nanoscale groove textured β-Ga 2 O 3 metal-semiconductor-metal photodiodes, enabled by the unique metal-assisted chemical etching (MacEtch) method at room temperature in liquid. Although the textured surface stoichiometry shows ~10% oxygen deficiency which results in a reduced Schottky barrier height and increased dark current, clear enhancement of the responsivity is demonstrated, compared to the planar untreated surface. Overall, the realization of MacEtch's applicability to β-Ga 2 O 3 opens the door for producing more sophisticated device structures for this material, without resorting to conventional dry etch and potential damage.

42 ENGINEERING↗

DOE OSTI2019

Electron scattering mechanisms in polycrystalline sputtered zinc tin oxynitride thin films

Zinc tin nitride (ZnSnN 2 ) is an emerging ternary nitride semiconductor studied for applications in solar cells, light-emitting diodes, and other optoelectronic devices. For all of these applications, the charge carrier mobility is an important property. Yet, the dominant electron scattering mechanisms in ZnSnN 2 are unclear, especially in the presence of oxygen that is often incorporated during thin film sputter deposition of this material. Moreover, there are no experimental reports on the concentration of defects in such polycrystalline sputtered zinc tin oxynitride Zn 1+x Sn 1-x N 2-2x O 2x (ZTNO) thin films. Here, we address both of these questions using temperature-dependent Hall effect measurements of sputtered ZTNO thin films as a function of Zn composition and O content. The measured temperature dependence of the mobility is fitted to scattering on ionized and neutral defects and to grain boundary scattering. The results suggest that ZTNO is a heavily compensated semiconductor, with a high density of neutral defects dominating the electron scattering processes. First principles theoretical calculations indicate that these neutral defects are likely to originate from the abundant Zn Sn -2O N complexes in the ZTNO material. Overall, these results establish the dominant electron scattering mechanisms in polycrystalline sputtered ZTNO and help position this material for future use in optoelectronic devices.

14 SOLAR ENERGY↗

DOE OSTI2020

Optical properties of cubic boron arsenide

The ultrahigh thermal conductivity of cubic boron arsenide (BAs) makes it a promising material for next-generation electronics and optoelectronics. Here, we report measured optical properties of BAs crystals, including the complex dielectric function, refractive index, and absorption coefficient in the ultraviolet, visible, and near-infrared wavelength range. In this work, the data were collected at room temperature using spectroscopic ellipsometry and transmission and reflection spectroscopy. We further calculated the optical response using density functional theory and many-body perturbation theory, considering quasiparticle and excitonic corrections. The computed values for the direct and indirect bandgaps (4.25 eV and 2.07 eV) agree well with the measured results (4.12 eV and 2.02 eV). Our findings pave the way for using BAs in future electronic and optoelectronic applications that take advantage of its demonstrated ultrahigh thermal conductivity and predicted high ambipolar carrier mobility.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2025

Review of radiation-induced defects in GaAs

Radiation-resilient optoelectronic materials are highly desired in space and nuclear applications, and understanding the relevant defects and electronic processes in those materials is crucial for both current and next-generation applications. GaAs is a prototypical semiconductor that serves as a foundational system for describing and understanding optoelectronic devices. In this review, both experimental studies and molecular dynamics (MD) simulations of irradiated GaAs are reviewed, with particular emphasis on the deep-level transient spectroscopy, irradiation-induced amorphization zones, and MD predictions of damage structures. The MD results are also compared to predictions of the non-ionized energy-loss model. Recent theoretical studies, in particular, density functional theory based calculations on the simple intrinsic defects and defect clusters in GaAs, are also reviewed. These defects have an important role in dictating the evolution of GaAs in radiation damage environments, as they impact the coupled dynamics of charge carriers. Finally, possible gaps and challenges toward the general understanding of defect evolution in GaAs are discussed.

36 MATERIALS SCIENCE↗