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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Two-dimensional silica: Structural, mechanical properties, and strain-induced band gap tuning

Two-dimensional silica is of rising interests not only for its practical applications as insulating layers in nanoelectronics, but also as a model material to understand crystals and glasses. In this study, we examine structural and electronic properties of hexagonal and haeckelite phases of silica bilayers by performing first-principles calculations. We find that the corner-sharing SiO{sub 4} tetrahedrons in these two phases are locally similar. The robustness and resilience of these tetrahedrons under mechanical perturbation allow effective strain engineering of the electronic structures with band gaps covering a very wide range, from of that for insulators, to wide-, and even narrow-gap semiconductors. These findings suggest that the flexible 2D silica holds great promises in developing nanoelectronic devices with strain-tunable performance, and lay the ground for the understanding of crystalline and vitreous phases in 2D, where bilayer silica provides an ideal test-bed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Excitons in atomically thin 2D semiconductors and their applications

The research on emerging layered two-dimensional (2D) semiconductors, such as molybdenum disulfide (MoS 2 ), reveals unique optical properties generating significant interest. Experimentally, these materials were observed to host extremely strong light-matter interactions as a result of the enhanced excitonic effect in two dimensions. Thus, understanding and manipulating the excitons are crucial to unlocking the potential of 2D materials for future photonic and optoelectronic devices. Here in this review, we unravel the physical origin of the strong excitonic effect and unique optical selection rules in 2D semiconductors. In addition, control of these excitons by optical, electrical, as well as mechanical means is examined. Finally, the resultant devices such as excitonic light emitting diodes, lasers, optical modulators, and coupling in an optical cavity are overviewed, demonstrating how excitons can shape future 2D optoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Thermal diffusion boron doping of single-crystal natural diamond

With the best overall electronic and thermal properties, single crystal diamond (SCD) is the extreme wide bandgap material that is expected to revolutionize power electronics and radio-frequency electronics in the future. However, turning SCD into useful semiconductors requires overcoming doping challenges, as conventional substitutional doping techniques, such as thermal diffusion and ion implantation, are not easily applicable to SCD. Here we report a simple and easily accessible doping strategy demonstrating that electrically activated, substitutional doping in SCD without inducing graphitization transition or lattice damage can be readily realized with thermal diffusion at relatively low temperatures by using heavily doped Si nanomembranes as a unique dopant carrying medium. Atomistic simulations elucidate a vacancy exchange boron doping mechanism that occurs at the bonded interface between Si and diamond. We further demonstrate selectively doped high voltage diodes and half-wave rectifier circuits using such doped SCD. Our new doping strategy has established a reachable path toward using SCDs for future high voltage power conversion systems and for other novel diamond based electronic devices. The novel doping mechanism may find its critical use in other wide bandgap semiconductors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Resonant optical transducers for in-situ gas detection

Configurations for in-situ gas detection are provided, and include miniaturized photonic devices, low-optical-loss, guided-wave structures and state-selective adsorption coatings. High quality factor semiconductor resonators have been demonstrated in different configurations, such as micro-disks, micro-rings, micro-toroids, and photonic crystals with the properties of very narrow NIR transmission bands and sensitivity up to 10.sup.-9 (change in complex refractive index). The devices are therefore highly sensitive to changes in optical properties to the device parameters and can be tunable to the absorption of the chemical species of interest. Appropriate coatings applied to the device enhance state-specific molecular detection.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Resonant optical transducers for in-situ gas detection

Configurations for in-situ gas detection are provided, and include miniaturized photonic devices, low-optical-loss, guided-wave structures and state-selective adsorption coatings. High quality factor semiconductor resonators have been demonstrated in different configurations, such as micro-disks, micro-rings, micro-toroids, and photonic crystals with the properties of very narrow NIR transmission bands and sensitivity up to 10.sup.-9 (change in complex refractive index). The devices are therefore highly sensitive to changes in optical properties to the device parameters and can be tunable to the absorption of the chemical species of interest. Appropriate coatings applied to the device enhance state-specific molecular detection.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Contact resistance and overlapping capacitance in flexible sub-micron long oxide thin-film transistors for above 100 MHz operation

In recent years new forms of electronic devices such as electronic papers, flexible displays, epidermal sensors, and smart textiles have become reality. Thin-film transistors (TFTs) are the basic blocks of the circuits used in such devices and need to operate above 100 MHz to efficiently treat signals in RF systems and address pixels in high resolution displays. Beyond the choice of the semiconductor, i.e., silicon, graphene, organics, or amorphous oxides, the junctionless nature of TFTs and its geometry imply some limitations which become evident and important in devices with scaled channel length. Furthermore, the mechanical instability of flexible substrates limits the feature size of flexible TFTs. Contact resistance and overlapping capacitance are two parasitic effects which limit the transit frequency of transistors. They are often considered independent, while a deeper analysis of TFTs geometry imposes to handle them together; in fact, they both depend on the overlapping length (L{sub OV}) between source/drain and the gate contacts. Here, we conduct a quantitative analysis based on a large number of flexible ultra-scaled IGZO TFTs. Devices with three different values of overlap length and channel length down to 0.5 μm are fabricated to experimentally investigate the scaling behavior of the transit frequency. Contact resistance and overlapping capacitance depend in opposite ways on L{sub OV}. These findings establish routes for the optimization of the dimension of source/drain contact pads and suggest design guidelines to achieve megahertz operation in flexible IGZO TFTs and circuits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Computational Insights into Phase Equilibria Between Wide-Gap Semiconductors and Contact Materials

Novel wide-band-gap semiconductors are needed for next-generation power electronics, but there is a gap between a promising material and a functional device. Finding stable (metal) contacts is one of the major challenges that is currently dealt with mainly via trial and error. Herein, we computationally investigate the thermochemistry and phase coexistence at the junction between three wide-gap semiconductors, ..beta..-Ga2O3, GeO2, and GaN, and possible contact materials. The pool of possible contacts includes 47 elemental metals and a set of 4 common, n-type transparent conducting oxides (ZnO, TiO2, SnO2, and In2O3). We use first-principles thermodynamics to model the Gibbs free energies of chemical reactions as a function of gas pressure (pO2/pN2) and equilibrium temperature. We deduce whether a semiconductor/contact interface will be stable at relevant conditions or a chemical reaction between them is to be expected, possibly influencing the long-term reliability and performance of devices. We generally find that most elemental metals tend to oxidize or nitridize and form various interface oxide/nitride layers. Exceptions include select late- and post-transition metals and, in the case of GaN, also the alkali metals, which are predicted to exhibit stable coexistence, although in many cases at relatively low gas partial pressures. Similar is true for the transparent conducting oxides, for which, in most cases, we predict a preference toward forming ternary oxides when in contact with ..beta..-Ga2O3 and GeO2. The only exception is SnO2, which we find to form stable contacts with both oxides. Finally, we show how the same approach can be used to predict gas partial pressure vs temperature phase diagrams to help direct synthesis of ternary compounds. We believe these results provide a valuable guidance in selecting contact materials to wide-gap semiconductors and suitable growth conditions.

contact materials↗
DOE OSTI2020

Using resonant energy X-ray diffraction to extract chemical order parameters in ternary semiconductors

II–IV–V 2 materials, ternary analogs to III–V materials, are emerging for their potential applications in devices such as LEDs and solar cells. Controlling cation ordering in II–IV–V 2 materials offers the potential to tune properties at nearly fixed compositions and lattice parameters. While tuning properties at a fixed lattice constant through ordering has the potential to be a powerful tool used in device fabrication, cation ordering also creates challenges with characterization and quantification of ordering. In this work, we investigate two different methods to quantify cation ordering in ZnGeP 2 thin films: a stretching parameter calculated from lattice constants , and an order parameter determined from the cation site occupancies ( S ). We use high resolution X-ray diffraction (HRXRD) to determine and resonant energy X-ray diffraction (REXD) to extract S . REXD is critical to distinguish between elements with similar Z -number ( e.g. Zn and Ge). We found that samples with a corresponding to the ordered chalcopyrite structure had only partially ordered S values. The optical absorption onset for these films occurred at lower energy than expected for fully ordered ZnGeP 2 , indicating that S is a more accurate descriptor of cation order than the stretching parameter. Since disorder is complex and can occur on many length scales, metrics for quantifying disorder should be chosen that most accurately reflect the physical properties of interest.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Injection deep level transient spectroscopy: An improved method for measuring capture rates of hot carriers in semiconductors

An improved method for measuring the cross sections for carrier trapping at defects in semiconductors is described. This method, a variation of deep level transient spectroscopy (DLTS) used with bipolar transistors, is applied to hot carrier trapping at vacancy-oxygen, carbon-oxygen, and three charge states of divacancy centers (V{sub 2}) in n- and p-type silicon. Unlike standard DLTS, we fill traps by injecting carriers into the depletion region of a bipolar transistor diode using a pulse of forward bias current applied to the adjacent diode. We show that this technique is capable of accurately measuring a wide range of capture cross sections at varying electric fields due to the control of the carrier density it provides. Because this technique can be applied to a variety of carrier energy distributions, it should be valuable in modeling the effect of radiation-induced generation-recombination currents in bipolar devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

All-semiconductor metamaterial-based optical circuit board at the microscale

The newly introduced metamaterial-based optical circuit, an analogue of electronic circuit, is becoming a forefront topic in the fields of electronics, optics, plasmonics, and metamaterials. However, metals, as the commonly used plasmonic elements in an optical circuit, suffer from large losses at the visible and infrared wavelengths. We propose here a low-loss, all-semiconductor metamaterial-based optical circuit board at the microscale by using interleaved intrinsic GaAs and doped GaAs, and present the detailed design process for various lumped optical circuit elements, including lumped optical inductors, optical capacitors, optical conductors, and optical insulators. By properly combining these optical circuit elements and arranging anisotropic optical connectors, we obtain a subwavelength optical filter, which can always hold band-stop filtering function for various polarization states of the incident electromagnetic wave. All-semiconductor optical circuits may provide a new opportunity in developing low-power and ultrafast components and devices for optical information processing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

First principles study of structural, optoelectronic and thermoelectric properties of Cu{sub 2}CdSnX{sub 4} (X = S, Se, Te) chalcogenides

Highlights: • Copper based quaternary chalcogenides are important for optoelectronic devices. • The WC-GGA shows that the materials are metallic in nature. • The EV-GGA predicts better band gaps compared to WC-GGA. • Absorption peaks are high in the visible and ultraviolet energy regions. • All the semiconductors have figure of merit above 0.70. - Abstract: In this work, structural, electronic, optical and thermoelectric properties of Cu{sub 2}CdSnX{sub 4} (X = S, Se, Te) have been studied through the full potential linearized augmented plane wave method. Calculated ground state lattice parameters are in good agreement with the experimental results. Lattice constant and bulk moduli vary inversely by replacing the anion X from S to Te in Cu{sub 2}CdSnX{sub 4}. The WC-GGA shows that the materials are metallic in nature. The EV-GGA predicts better band gaps compared to WC-GGA. The calculated bandgap values are 1.8, 1.06 and 0.8042 for Cu{sub 2}CdSnX{sub 4}, Cu{sub 2}CdSnX{sub 4}, Cu{sub 2}CdSnX{sub 4} respectively. Cd-d, Sn-s and X-p states contribute significantly in the density of states of the compounds. Absorption peaks and optical conductivity is high in the visible and ultraviolet energy regions. All the semiconductors have figure of merit above 0.70. The optical and thermoelectric properties clearly show that Cu{sub 2}CdSnX{sub 4} are potential candidates in the fields of solar cell and thermoelectric technology.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Memristive behaviors in Pt/BaTiO{sub 3}/Nb:SrTiO{sub 3} ferroelectric tunnel junctions

We demonstrate memristive behaviors in Pt/BaTiO{sub 3}/Nb:SrTiO{sub 3} metal/ferroelectric/semiconductor ferroelectric tunnel junctions, in which the semiconductor electrode can be switched between the accumulated and the depleted states by polarization reversal in the BaTiO{sub 3} barrier via the ferroelectric field effect. An extra barrier, against electron tunneling, forms in the depleted region of the Nb:SrTiO{sub 3} electrode surface, which together with the ferroelectric barrier itself modulate the tunneling resistance with the change of effective polarization. Continuous resistance modulation over four orders of magnitude is hence achieved by application of programmed voltage pulses with different polarity, amplitude, and repetition numbers, as a result of the development of the extra barrier.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Impact of Photon Recycling, Grain Boundaries, and Nonlinear Recombination on Energy Transport in Semiconductors

Energy carrier transport and recombination in semiconductors can be directly monitored with optical microscopy, revealing key insights into fundamental photophysics and informs efficient optoelectronic device design. Oftentimes, energy transport is measured by monitoring a time-resolved expanding carrier profile after optical excitation under a focused laser beam. Although this approach has gained widespread adoption, the presence of competing dynamic processes, such as diffusion and photon recycling, has made it difficult to accurately extract and understand important semiconductor properties. Here, we develop and apply a new framework for modeling energy transport in both excitonic and free carrier semiconductors. Here, we demonstrate that processes such as nonlinear recombination and photon recycling can have a significant impact on the apparent energy carrier profiles, especially for excitonic materials with short radiative lifetimes. Additionally, we find that film microstructure can lead to unique transport profiles that strongly depends on material boundary behavior and the difference between feature size and diffusion length. Here, these findings provide a deeper understanding of energy transport in semiconducting materials and provide new strategies for the design and optimization of electronic and optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

GaAs Thermophotovoltaic Patterned Dielectric Back Contact Devices with Improved Sub-Bandgap Reflectance

We demonstrate GaAs thermophotovoltaic (TPV) devices with a patterned dielectric back contact (PDBC) architecture, featuring a dielectric spacer between the semiconductor and back metal contact over most of the back surface for high reflectance, and metal point contacts over a smaller area for electrical conduction. In the TPV application, high sub-bandgap reflectance is needed to reflect unused sub-bandgap photons to the thermal emitter to minimize energy losses in this portion of the thermal spectrum. We explore different PDBC fabrication processes with SU-8 and SiO2 dielectric spacer layers to maximize sub-bandgap reflectance while minimizing series resistance to increase TPV conversion efficiency. We successfully demonstrate GaAs SU-8 PDBC TPV devices with 2200 degrees C blackbody-weighted sub-bandgap reflectance of 94.9% and 96.5% with and without a front metal grid, respectively. This is 0.7% and 2.3% (absolute) higher than the mean sub-bandgap reflectance of 94.2% for GaAs baseline TPV devices with 100% Au back contact with front metal grid. Lower sub-bandgap reflectance in TPV devices with front grids indicates the front grid induces light scattering leading to additional parasitic absorption in the TPV device. We also show that for higher contact coverage fractions, the PDBC reflectance cannot in general be treated by a linear interpolation using simple 1D transfer matrix method modeling and should be treated instead as a diffraction grating by solving Maxwell's equations in 3D.

energy storage↗
DOE OSTI2021

Quantized electronic transitions in electrodeposited copper indium selenide nanocrystalline homojunctions

Pairing semiconductors with electrochemical processing offers an untapped opportunity to create novel nanostructures for practical devices. Here we report the results of one such pairing: the in-situ formation of highly-doped, interface-matched, sharp nanocrystalline homojunctions (NHJs) with single step electrodeposition of two copper-indium-selenide (CISe) compounds on flexible foil. It produces a homogenous film, comprising inherently ordered, 3-dimensional interconnected network of pn -CISe NHJs. These CISe NHJs exhibit surprising non-linear emissions, quantized transitions, large carrier mobility, low trap-state-density, long carrier lifetime and possible up-conversion. They facilitate efficient separation of minority carriers, reduce recombination and essentially function like quantum materials. This approach mitigates the material issues and complex fabrication of incumbent nanoscale heterojunctions; it also overcomes the flexibility and scale-up challenges of conventional planar pn junctions. The self-stabilized CISe NHJ film can be roll-to-roll processed in ambient atmosphere, thus providing a promising platform for a range of optoelectronic technologies. This concept exemplified by CISe compounds can be adapted to create nano-scale pn junctions with other inorganic semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Spin-Dependent Electronic Dynamics in a Hybrid Nonresonance III–V/II–VI Heterostructure

The processes of electron spin dynamics in a hybrid nonresonance structure, which includes a layer of a diluted magnetic II–Mn–VI semiconductor and an asymmetric quantum well (QW) of a nonmagnetic III–V semiconductor, are experimentally studied. The nonresonance of the structure is determined by the fact that the level of the ground state of the magnetic layer falls into the range of the excited states of the nonmagnetic QW. The electron polarization in the ground thermalized state of QW is found not to depend on the magnetic part of the structure. However, the magnetic part affects the electron polarization in the excited state via spin injection from the magnetic semiconductor and the mixing of the electronic states of the magnetic and nonmagnetic subsystems of the structure. The possibility of controlling the polarization of an electron spin by carrier excitation toward the region of mixed states along with the absence of depolarizing influence of the magnetic semiconductor on carriers in the thermalized state of QW can be applied to design new spintronic devices along with those that use spin injection, optical orientation, and depolarization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗