First-Principles Calculations of Luminescence Spectrum Line Shapes for Defects in Semiconductors: The Example of GaN and ZnO
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bio-inspired↗
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Results for “LINE DEFECTS”
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On-chip photonic-phononic emitter-receiver apparatus
A radio-frequency photonic devices employs photon-phonon coupling for information transfer. The device includes a membrane in which a two-dimensionally periodic phononic crystal (PnC) structure is patterned. The device also includes at least a first optical waveguide embedded in the membrane. At least a first line-defect region interrupts the PnC structure. The first optical waveguide is embedded within the line-defect region.
47 OTHER INSTRUMENTATION↗
Morphology and Luminescence Properties of Transition Metal Doped Zinc Selenide Crystals
Zinc selenide is an excellent matrix material to dope with rare-earth and transition metal to achieve mid-infrared luminescence to develop high power lasers. The luminescence, morphology and refractive index is significantly affected by the doping and defects generated due to size and valency of dopants, concentration, growth process and convection during the growth. The aim of the study is to investigate effect of point and line defects generated due to low doping of iron and chromium on the emission and morphology of the zinc selenide. Luminescence and morphological properties of large iron and chromium doped zinc selenide single crystals were studied to evaluate the effect of extremely low residual impurities and defects associated with the doping process. The emission properties following both short wavelength (i.e., ultraviolet; 350 – 370 nm) excitation and longer wavelength (i.e., near infrared; 850 – 870 nm) excitation were characterized. Luminescence emission bands were identified in both doped crystals. In addition to the primary emission bands, satellite peaks and intra-center transitions were also observed. Due to local population defects associated with the residual impurities (ppm to ppb) in the Fe-ZnSe and Cr-ZnSe crystals, peak emission wavelengths were observed to shift. Raman studies using 266 and 532 – nm excitation revealed different positions of longitudinal and transverse peaks for Fe-ZnSe and Cr-ZnSe crystals, associated with different levels of defects due to the different ion sizes. The emission bands were found to decrease in intensity due to recombination of residual impurity co-dopants and complex defects generated during growth and fabrication. Cryogenic temperature analyses revealed a very clean emission band due to freezing of some of the point and line defects. An emission band observed at 980 nm for both crystals at room temperature as well as cryogenic temperatures indicates a vibronic peak in ZnSe. The scanning electron microscopy (SEM) images of the local morphology support the conclusion that small crystallites in doped crystals are also present.
Zinc selenide↗
Phases, phase equilibria, and phase rules in low-dimensional systems
We present a unified approach to thermodynamic description of one, two, and three dimensional phases and phase transformations among them. The approach is based on a rigorous definition of a phase applicable to thermodynamic systems of any dimensionality. Within this approach, the same thermodynamic formalism can be applied for the description of phase transformations in bulk systems, interfaces, and line defects separating interface phases. For both lines and interfaces, we rigorously derive an adsorption equation, the phase coexistence equations, and other thermodynamic relations expressed in terms of generalized line and interface excess quantities. As a generalization of the Gibbs phase rule for bulk phases, we derive phase rules for lines and interfaces and predict the maximum number of phases than may coexist in systems of the respective dimensionality.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Diffraction and imaging study of imperfections of crystallized lysozyme with coherent X-rays
Phase-contrast X-ray diffraction imaging and high-angular-resolution diffraction combined with phase-contrast radiographic imaging were employed to characterize defects and perfection of a uniformly grown tetragonal lysozyme crystal in the symmetric Laue case. The full-width at half-maximum (FWHM) of a 4 4 0 rocking curve measured from the original crystal was approximately 16.7 arcsec and imperfections including line defects, inclusions and other microdefects were observed in the diffraction images of the crystal. The observed line defects carry distinct dislocation features running approximately along the <1 1 0> growth front and have been found to originate mostly in a central growth area and occasionally in outer growth regions. Inclusions of impurities or formations of foreign particles in the central growth region are resolved in the images with high sensitivity to defects. Slow dehydration led to the broadening of a fairly symmetric 4 4 0 rocking curve by a factor of approximately 2.6, which was primarily attributed to the dehydration-induced microscopic effects that are clearly shown in X-ray diffraction images. The details of the observed defects and the significant change in the revealed microstructures with drying provide insight into the nature of imperfections, nucleation and growth, and the properties of protein crystals.
Muramidase/chemistry↗
Holographic correspondence in topological superconductors
We analytically derive a compatible family of effective field theories that uniquely describe topological superconductors in 3D, their 2D boundary and their 1D defect lines. We start by deriving the topological field theory of a 3D topological superconductor in class DIII, which is consistent with its symmetries. Then we identify the effective theory of a 2D topological superconductor in class D living on the gapped boundary of the 3D system. By employing the holographic correspondence we derive the effective chiral conformal field theory that describes the gapless modes living on the defect lines or effective boundary of the class D topological superconductor. We demonstrate that the chiral central charge is given in terms of the 3D winding number of the bulk which by its turn is equal to the Chern number of its gapped boundary.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Non-radiative recombination at dislocations in InAs quantum dots grown on silicon
We study the impact of misfit dislocations on the luminescence from InAs quantum dots (QDs) grown on Si substrates. Electron channeling contrast imaging is used together with cathodoluminescence mapping to locate misfit dislocations and characterize the resulting nonradiative recombination of carriers via near-infrared light emission profiles. With a 5 kV electron beam probe, the dark line defect width due to a typical misfit dislocation in a shallow QD active layer is found to be approximately 1 μ m, with a 40%–50% peak emission intensity loss at room temperature. Importantly, we find that at cryogenic temperatures, the dislocations affect the QD ground state and the first excited state emission significantly less than the second excited state emission. At the same time, the dark line defect width, which partially relates to carrier diffusion in the system, is relatively constant across the temperature range of 10 K–300 K. Our results suggest that carrier dynamics in the QD wetting layer control emission intensity loss at dislocations, and that these defects reduce luminescence only at those temperatures where the probability of carriers thermalizing from the dots into the wetting layer becomes significant. We discuss the implications of these findings toward growing dislocation-tolerant, reliable quantum dot lasers on silicon.
Electron beams↗
GPU-Accelerated Solution of the Bethe–Salpeter Equation for Large and Heterogeneous Systems
We present a massively parallel GPU-accelerated implementation of the Bethe–Salpeter equation (BSE) for the calculation of the vertical excitation energies (VEEs) and optical absorption spectra of condensed and molecular systems, starting from single-particle eigenvalues and eigenvectors obtained with density functional theory. The algorithms adopted here circumvent the slowly converging sums over empty and occupied states and the inversion of large dielectric matrices through a density matrix perturbation theory approach and a low-rank decomposition of the screened Coulomb interaction, respectively. Further computational savings are achieved by exploiting the nearsightedness of the density matrix of semiconductors and insulators to reduce the number of screened Coulomb integrals. We scale our calculations to thousands of GPUs with a hierarchical loop and data distribution strategy. The efficacy of our method is demonstrated by computing the VEEs of several spin defects in wide-band-gap materials, showing that supercells with up to 1000 atoms are necessary to obtain converged results. We discuss the validity of the common approximation that solves the BSE with truncated sums over empty and occupied states. In conclusion, we then apply our GW-BSE implementation to a diamond lattice with 1727 atoms to study the symmetry breaking of triplet states caused by the interaction of a point defect with an extended line defect.
Absorption spectra↗
Defect detection in atomic-resolution images via unsupervised learning with translational invariance
Abstract Crystallographic defects can now be routinely imaged at atomic resolution with aberration-corrected scanning transmission electron microscopy (STEM) at high speed, with the potential for vast volumes of data to be acquired in relatively short times or through autonomous experiments that can continue over very long periods. Automatic detection and classification of defects in the STEM images are needed in order to handle the data in an efficient way. However, like many other tasks related to object detection and identification in artificial intelligence, it is challenging to detect and identify defects from STEM images. Furthermore, it is difficult to deal with crystal structures that have many atoms and low symmetries. Previous methods used for defect detection and classification were based on supervised learning, which requires human-labeled data. In this work, we develop an approach for defect detection with unsupervised machine learning based on a one-class support vector machine (OCSVM). We introduce two schemes of image segmentation and data preprocessing, both of which involve taking the Patterson function of each segment as inputs. We demonstrate that this method can be applied to various defects, such as point and line defects in 2D materials and twin boundaries in 3D nanocrystals.
36 MATERIALS SCIENCE↗
Quantification Of 4H- To 3C-Polymorphism In Silicon Carbide (SiC) Epilayers And An Investigation Of Recombination-Enhanced Dislocation Motion In SiC By Optical Emission Microscopy (Oem) Techniques
Environments that impose operational constraints on conventional silicon-(Si) based semiconductor devices frequently appear in military- and space-grade applications. These constraints include high temperature, high power, and high radiation environments. Silicon carbide (SiC), an alternative type of semiconductor material, has received abundant research attention in the past few years, owing to its radiation-hardened properties as well as its capability to withstand high temperatures and power levels. However, the growth and manufacture of SiC devices is still comparatively immature, and there are severe limitations in present crystal growth and device fabrication processes. Among these limitations is a variety of crystal imperfections known as defects. These imperfections can be point defects (e.g., vacancies and interstitials), line defects (e.g., edge and screw dislocations), or planar defects (e.g., stacking faults and double-positioning boundaries). All of these defects have been experimentally shown to be detrimental to the performance of electron devices made from SiC. As such, it is imperative that these defects are significantly reduced in order for SiC devices to become a viable entity in the electronics world. The NASA Glenn High Temperature Integrated Electronics & Sensors Team (HTIES) is working to identify and eliminate these defects in SiC by implementing improved epitaxial crystal growth procedures. HTIES takes two-inch SiC wafers and etches patterns, producing thousands of mesas into each wafer. Crystal growth is then carried out on top of these mesas in an effort to produce films of improved quality-resulting in electron devices that demonstrate superior performance-as well as fabrication processes that are cost-effective, reliable, and reproducible. In this work, further steps are taken to automate HTIES' SiC wafer inspection system. National Instruments LabVIEW image processing and pattern recognition routines are developed that are capable of quantifying and mapping defects on both the substrate and mesa surfaces, and of quantifying polymorphic changes in the grown materials. In addition, an optical emission microscopy (OEM) system is developed that will facilitate comprehensive study of recombination-enhanced dislocation motion (REDM).
Speer, Kevin M.↗
Quantitative Principles for Precise Engineering of Sensitivity in Graphene Electrochemical Sensors
Abstract A major difficulty in implementing carbon‐based electrode arrays with high device‐packing density is to ensure homogeneous and high sensitivities across the array. Overcoming this obstacle requires quantitative microscopic models that can accurately predict electrode sensitivity from its material structure. Such models are currently lacking. Here, it is shown that the sensitivity of graphene electrodes to dopamine and serotonin neurochemicals in fast‐scan cyclic voltammetry measurements is strongly linked to point defects, whereas it is unaffected by line defects. Using the physics of point defects in graphene, a microscopic model is introduced that explains how point defects determine sensitivity. The predictions of this model match the empirical observation that sensitivity linearly increases with the density of point defects. This model is used to guide the nanoengineering of graphene structures for optimum sensitivity. This approach achieves reproducible fabrication of miniaturized sensors with extraordinarily higher sensitivity than conventional materials. These results lay the foundation for new integrated electrochemical sensor arrays based on nanoengineered graphene.
Wu, Ting↗
Effect of substrate temperature on microstructure of epitaxial ZnO films grown on sapphire by sputtering
The microstructure of epitaxial ZnO films on (0001) sapphire substrates deposited by reactive sputtering in substrate temperature (T{sub s}) range of 100 - 500 deg. C were investigated by High-resolution X-ray diffraction. The studies show the presence of a strained 2D layer along with 3D crystallites at low T{sub s}, whereas 3D growth is dominant at higher T{sub s}, resulting in formation of mosaic structure with lesser point and line defects.
36 MATERIALS SCIENCE↗
ILLUMINATION RESPONSE OF CDZNTE
CdZnTe (CZT) semiconducting crystals are of interest for use as room temperature X- and {gamma}-ray spectrometers. Several studies have focused on understanding the various electronic properties of these materials, such as the surface and bulk resistivities and the distribution of the electric field within the crystal. Specifically of interest is how these properties are influenced by a variety of factors including structural heterogeneities, such as secondary phases (SPs) and line defects as well as environmental effects. Herein, we report the bulk current, surface current, electric field distribution and performance of a spectrometer-grade CZT crystal exposed to above band-gap energy illumination.
36 MATERIALS SCIENCE↗
Green cubic GaInN/GaN light-emitting diode on microstructured silicon (100)
GaInN/GaN light-emitting diodes free of piezoelectric polarization were prepared on standard electronic-grade Si(100) substrates. Micro-stripes of GaN and GaInN/GaN quantum wells in the cubic crystal structure were grown on intersecting (111) planes of microscale V-grooved Si in metal-organic vapor phase epitaxy, covering over 50% of the wafer surface area. Crystal phases were identified in electron back-scattering diffraction. A cross-sectional analysis reveals a cubic structure virtually free of line defects. Electroluminescence over 20 to 100 μA is found fixed at 487 nm (peak), 516 nm (dominant). Such structures therefore should allow higher efficiency, wavelength-stable light emitters throughout the visible spectrum.
36 MATERIALS SCIENCE↗
Design and analysis of logic NOR, NAND and XNOR gates based on interference effect
We have developed and analysed logic NOR, NAND and XNOR gates based on two dimensional (2D) photonic crystals at a wavelength of 1.55 μm. The interference and self-collimation effects are used to design logic gates, which control the output by adjusting the phase difference to achieve constructive or destructive interference. The splitter is a line defect of the photonic crystal with a row of periodically arranged air rods. The radius of the defect rods depends on the function of the logic element. The use of these logic gates can reduce the size of logic devices. (optical logic elements)
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Absence of bound states for waveguides in two-dimensional periodic structures
We study a Helmholtz-type spectral problem in a two-dimensional medium consisting of a fully periodic background structure and a perturbation in form of a line defect. The defect is aligned along one of the coordinate axes, periodic in that direction (with the same periodicity as the background), and bounded in the other direction. This setting models a so-called “soft-wall” waveguide problem. We show that there are no bound states, i.e., the spectrum of the operator under study contains no point spectrum.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Acoustic beam splitting in two-dimensional phononic crystals using self-collimation effect
We propose two models of self-collimation-based beam splitters in phononic crystals. The finite element method is used to investigate the propagation properties of acoustic waves in two-dimensional phononic crystals. The calculated results show that the efficiency of the beam splitter can be controlled systematically by varying the radius of the rods or by changing the orientation of the square rods in the line defect. The effect of changing the side length of the square rods on acoustic wave propagation is discussed. The results show that the total transmission/reflection range decreases/increases as the side length increases. We also find that the relationship between the orientation of the transflective point and the side length of the square rods is quasi-linear.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Ultralow bias power all-optical photonic crystal memory realized with systematically tuned L3 nanocavity
An InP photonic crystal nanocavity with an embedded InGaAsP active region is a unique technology that has realized an all-optical memory with a sub-micro-watt operating power and limitless storage time. In this study, we employed an L3 design with systematic multi-hole tuning, which realized a higher loaded Q factor (>40 000) and a lower mode volume (0.9 μm{sup 3}) than a line-defect-based buried-heterostructure nanocavity (16 000 and 2.2 μm{sup 3}). Excluding the active region realized a record loaded Q factor (210 000) in all for InP-based nanocavities. The minimum bias power for bistable memory operation was reduced to 2.3 ± 0.3 nW, which is about 1/10 of the previous record of 30 nW. This work further established the capability of a bistable nanocavity memory for use in future ultralow-power-consumption on-chip integrated photonics.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗