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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Three-Dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse

Large organic A cations cannot stabilize the 3D perovskite AMX 3 structure because they cannot be accommodated in the cubo-octhedral cage (do not follow the Goldschmidt tolerance factor rule), and they generally template low-dimensional structures. In this paper, we report that the large dication aminomethylpyridinium (AMPY) can template novel 3D structures which resemble conventional perovskites. They have the formula (xAMPY)M 2 I 6 (x = 3 or 4, M = Sn 2+ or Pb 2+ ) which is double of the AMX3 formula. However, because of the steric requirement of the Goldschmidt tolerance factor rule, it is impossible for (xAMPY)M 2 I 6 to form proper perovskite structures. Instead, a combination of corner-sharing and edge-sharing connectivity is adopted in these compounds leading to the new 3D structures. DFT calculations reveal that the compounds are indirect band gap semiconductors with direct band gaps presenting at slightly higher energies and dispersive electronic bands. The indirect band gaps of the Sn and Pb compounds are ~1.7 and 2.0 eV, respectively, which is slightly higher than the corresponding AMI 3 3D perovskites. The Raman spectra for the compounds are diffuse, with a broad rising central peak at very low frequencies around 0 cm –1 , a feature that is characteristic of dynamical lattices, high anharmonicity, and dissipative vibrations very similar to the 3D AMX 3 perovskites. Devices of (3AMPY)Pb 2 I 6 crystals exhibit clear photoresponse under ambient light without applied bias, reflecting a high carrier mobility (μ) and long carrier lifetime (τ). The devices also exhibit sizable X-ray generated photocurrent with a high μτ product of ~1.2×10 -4 cm 2 /V and a X-ray sensitivity of 207 μC∙Gy -1 ∙cm -2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Non-dynamic decimeter tracking of earth satellites using the Global Positioning System

A technique is described for employing the Global Positioning System (GPS) to determine the position of a low earth orbiter with decimeter accuracy without the need for user dynamic models. A differential observing strategy is used requiring a GPS receiver on the user vehicle and a network of six ground receivers. The technique uses the continuous record of position change obtained from GPS carrier phase to smooth position measurements made with pseudo-range. The result is a computationally efficient technique that can deliver decimeter accuracy down to the lowest altitude orbits.

Yunck, T. P.↗
NASA NTRS1988

Objective detection and forecasting of Clear-Air Turbulence (CAT): A status report

Clear-air turbulence has become the largest single cause of weather-related injuries occurring in commercial carriers at cruising altitudes. A technique for objective operational CAT detection (the SCATR index) has been formulated. Its physical basis ties CAT to total energy dissipation as a response to meso- and synoptic-scale dynamical processes associated with upper-level jet stream/frontal zones. Early case studies using properly analyzed routine RAOB rawinsonde sounding data have shown promise.

Keller, John L.↗
NASA NTRS1998

Computational Modeling of Semiconductor Dynamics at Femtosecond Time Scales

The main objective of the Joint-Research Interchange NCC2-5149 was to develop computer codes for accurate simulation of femtosecond pulse propagation in semiconductor lasers and semiconductor amplifiers [I]. The code should take into account all relevant processes such as the interband and intraband carrier relaxation mechanisms and the many-body effects arising from the Coulomb interaction among charge carriers [2]. This objective was fully accomplished. We made use of a previously developed algorithm developed at NASA Ames [3]-[5]. The new algorithm was tested on several problems of practical importance. One such problem was related to the amplification of femtosecond optical pulses in semiconductors. These results were presented in several international conferences over a period of three years. With the help of a postdoctoral fellow, we also investigated the origin of instabilities that can lead to the formation of femtosecond pulses in different kinds of lasers. We analyzed the occurrence of absolute instabilities in lasers that contain a dispersive host material with third-order nonlinearities. Starting from the Maxwell-Bloch equations, we derived general multimode equations to distinguish between convective and absolute instabilities. We find that both self-phase modulation and intensity-dependent absorption can dramatically affect the absolute stability of such lasers. In particular, the self-pulsing threshold (the so-called second laser threshold) can occur at few times the first laser threshold even in good-cavity lasers for which no self-pulsing occurs in the absence of intensity-dependent absorption. These results were presented in an international conference and published in the form of two papers.

Agrawal, Govind P.↗
DOE OSTI2021

Metal–Ligand Based Mechanophores Enhance Both Mechanical Robustness and Electronic Performance of Polymer Semiconductors

The backbone of diketopyrrolopyrrole-thiophene-vinylene-thiophene-based polymer semiconductors (PSCs) is modified with pyridine (Py) or bipyridine ligands to complex Fe(II) metal centers, allowing the metal–ligand complexes to act as mechanophores and dynamically crosslink the polymer chains. Here, mono- and bi-dentate ligands are observed to exhibit different degrees of bond strengths, which subsequently affect the mechanical properties of these Wolf-type-II metallopolymers. The counter ion also plays a crucial role, as it is observed that Py-Fe mechanophores with non-coordinating BPh 4 – counter ions (Py-FeB) exhibit better thin film ductility with lower elastic modulus, as compared to the coordinating chloro ligands (Py-FeC). Interestingly, besides mechanical robustness, the electrical charge carrier mobility can also be enhanced concurrently when incorporating Py-FeB mechanophores in PSCs. This is a unique observation among stretchable PSCs, especially that most reports to date describe a decreased mobility when the stretchability is improved. Next, it is determined that improvements to both mobility and stretchability are correlated to the solid-state molecular ordering and dynamics of coordination bonds under strain, as elucidated via techniques of grazing-incidence X-ray diffraction and X-ray absorption spectroscopy techniques, respectively. This study provides a viable approach to enhance both the mechanical and the electronic performance of polymer-based soft devices.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Advancing Protein Display on Bacterial Spores through an Extensive Survey of Coat Components

The profound stability of bacterial spores makes them a promising platform for biotechnological applications like biocatalysis, bioremediation, drug delivery, etc. However, though the Bacillus subtilis spore is composed of >40 types of proteins, only ∼12 have been explored as fusion carriers for protein display. Here, we assessed the suitability of 33 spore proteins (SPs) as enzyme display carriers by direct allele tagging at native genomic loci. Of the 33 SPs investigated, 26 formed functional fusions with β-glucuronidase (GUS)─a ∼272 kDa homotetramer. This almost triples the number of SPs assessed for enzyme display and doubles the number of functional fusions documented in the literature. We quantitatively assessed 1) SP promoter activation dynamics, 2) GUS activity on spores, 3) surface availability, and 4) protection from thermal and proteolytic degradation. Multicopy expression and pairwise coexpression of the most promising SP-GUS fusions highlighted the complexity of spore structure/assembly and the difficulty in predicting compatibility between different SP fusions. We also assessed the suitability of engineered spores to degrade PET (polyethylene terephthalate) films and found that surface-exposed SPs were most effective. Beyond the broad survey, a key outcome of our work was the identification of SscA (small spore coat assembly protein A) as an effective spore display carrier. SscA supported enzyme activity at least 4-fold higher than any other SP, including the well-established anchor, CotY. We attribute this to its promoter, which demonstrated early and sustained activation relative to other SPs and its small size (∼3 kDa), which likely minimally interferes with enzyme folding, oligomerization, and activity. Labeling and genetic studies, its hydrophobic nature, and low surface availability suggest that SscA assembles within the inner spore coat, which makes it stabilizing and suitable for many biocatalytic applications. Overall, this work serves as a knowledge base to advance the biotechnological utility of B. subtilis spores.

Bacillus subtilis↗
DOE OSTI2025

A dynamic protein interactome drives energy conservation and electron flux in Thermococcus kodakarensis

ABSTRACT Life is supported by energy gains fueled by catabolism of a wide range of substrates, each reliant on the selective partitioning of electrons through redox ( red uction and ox idation) reactions. Electron flux through tunable and regulated protein interactions provides dynamic routes for energy conservation, but how electron flux is regulated in vivo , particularly for archaeal metabolisms that support rapid growth at the thermodynamic limits of life, is poorly understood. Identification of bona fide in vivo protein assemblies and how such assemblies dictate the totality of electron flux is critical to our understanding of the regulation imposed on metabolism, energy production, and energy conservation. Here, 25 key proteins in central metabolic redox pathways in the model, genetically accessible, hyperthermophilic archaeon Thermococcus kodakarensis , were purified to reveal an extensive, dynamic, and tightly interconnected network of protein interactions that responds to environmental cues (such as the availability of various reductive sinks) to direct electron flux to maximize energetic gains. Interactions connecting disparate functions suggest many catabolic and anabolic activities occur in spatial proximity in vivo , and while protein complexes have been historically defined under optimal conditions, many of these complexes appear to maintain alternative partnerships in changing conditions. The totality of the results obtained redefines our understanding of in vivo assemblies driving ancient metabolic strategies supporting the growth of modern Archaea. IMPORTANCE Given the potential for rational genetic manipulations of biofuel- and biotech-promising archaea to yield transformative results for major markets, it is a priority to define how the metabolisms of such species are controlled, at least in part, by in vivo protein assemblies, and from such, define routes of energy flux that can be most efficiently altered toward biofuel or biotechnological gains. Proteinaceous electron carriers (PECs, such as ferredoxins) offer the potential for specific protein–protein interactions to coordinate selective reductive flow. Employing the model, genetically accessible, hyperthermophilic archaeon, Thermococcus kodakarensis , we establish the metabolic protein interactome of 25 key redox proteins, revealing that each redox active protein has a dynamic partnership profile, suggesting catabolic and anabolic activities may occur in concert and in temporal and spatial proximity in vivo . These results reveal critical importance in evaluating the newly identified partnerships and their role and utility in providing regulated redox flux in T. kodakarensis .

Williams, Sere A. (ORCID:0000000235509590)↗
DOE OSTI2022

Fast Exciton Diffusion in Monolayer PtSe2

Recently, 2D noble metal dichalcogenides have drawn considerable attention due to their thickness-tunable electronic and optical properties. However, the dynamical properties of photocarriers in these materials are less studied. In this report photocarrier dynamics in monolayer and bilayer PtSe 2 samples prepared by chemical vapor deposition are studied by transient absorption microscopy. Spatially and temporally resolved differential reflectance measurements yield room-temperature exciton lifetimes of 25 and 50 ps for monolayer and bilayer samples, respectively. The exciton diffusion coefficient in monolayer PtSe 2 is found to be as large as 48 cm 2 s -1 . This value is higher than exciton diffusion coefficients of most known monolayer semiconductors. The deduced exciton mobility is close to the theoretical limit of charge carrier mobility of monolayer PtSe 2 . The superior exciton transport property is unique to monolayers, as the exciton diffusion coefficient drops to 6.7 cm 2 s -1 in bilayers PtSe 2 . The novel exciton transport properties, along with its high air stability, make monolayer PtSe 2 an attractive material for ultrathin excitonic devices. These results provide insights on the exciton dynamic properties of 2D PtSe 2 and help develop fundamental understanding on the performance of various optoelectronic devices based on 2D PtSe 2 . .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

Precision signal power measurement

Accurate estimation of signal power is an important Deep Space Network (DSN) consideration. Ultimately, spacecraft power and weight is saved if no reserve transmitter power is needed to compensate for inaccurate measurements. Spectral measurement of the received signal has proved to be an effective method of estimating signal power over a wide dynamic range. Furthermore, on-line spectral measurements provide an important diagnostic tool for examining spacecraft anomalies. Prototype equipment installed at a 64-m-diameter antenna site has been successfully used to make measurements of carrier power and sideband symmetry of telemetry signals received from the Mariner Mars 1971 spacecraft.

Winkelstein, R.↗
NASA NTRS1982

An evaluation of an ICCD imager of dynamic range expansion technique and application of insitu procedures for life-time extension

Research toward practical implementation of the Intensified Charge Coupled Device (ICCD) as a photon-counting array detector for astronomy is reported. The first area of concentration was to determine the rate and extent of the lifetime limiting damage to the CCD caused by the impact of high energy electrons, and to find whether various methods of annealing the damage were productive. The second effort was to determine the performance of the ICCD in a photon-counting mode to produce extended dynamic range measurements. There are two main effects that appear as the practical results of the electron damage to the CCD. One is an increase in the leakage current, i.e., the normal thermal generation of charge carriers in the silicon that provides a background dark signal that adds to the light produced image. In an undamaged CCD, the leakage current is usually fairly uniform across the photosensitive area of the silicon chip, with the exception of various bright pixels which have an anomalous leakage current well above the overall level.

Currie, D. G.↗
NASA NTRS1986

Growth of high-quality thin-film Ge single crystals by plasma-enhanced chemical vapor deposition

Thin-film Ge single crystals (approx. 10 microns) have been epitaxially grown on polished NaCl(100) substrates at 450C by using plasma-enhanced chemical vapor deposition. Films on approximately 1 sq cm and larger were separated from the NaCl by either melting the salt or by differential shear stress upon cooling to room temperature. The ordered growth of the Ge was found to be most sensitive to the initial plasma power and to the continuum flow dynamics within the carbon susceptor. The films were visually specular and exhibited a high degree of crysalline order when examined by X-ray diffraction. The films were found to be p-type with a carrier concentration of approximately 3 x 10 to the 16th power/cu cm, a resistivity of 0.11 ohm-cm, and a Hall hole mobility of 1820 sq cm/v/s at room temperature. Vacuum firing minimized the primary contaminant, Na, and corresponding lowered the carrier concentration to 4 x 10 to the 14th power/cu cm.

Outlaw, R. A.↗
NASA NTRS1995

Gain properties of doped GaAs/AlGaAs multiple quantum well avalanche photodiode structures

A comprehensive characterization has been made of the static and dynamical response of conventional and multiple quantum well (MQW) avalanche photodiodes (APDs). Comparison of the gain characteristics at low voltages between the MQW and conventional APDs show a direct experimental confirmation of a structure-induced carrier multiplication due to interband impact ionization. Similar studies of the bias dependence of the excess noise characteristics show that the low-voltage gain is primarily due to electron ionization in the MQW-APDS, and to both electron and hole ionization in the conventional APDS. For the doped MQW APDS, the average gain per stage was calculated by comparing gain data with carrier profile measurements, and was found to vary from 1.03 at low bias to 1.09 near avalanche breakdown.

Menkara, H. M.↗
DOE OSTI2025

Renewable hydrogen horizon: Geospatial techno-economic feasibility and life cycle greenhouse gas analysis in the Middle East and North Africa

Renewable hydrogen is receiving increasing attention for its potential as a flexible energy carrier in sectors such as transportation and industry. Specific cost and carbon intensity (CI) of renewable hydrogen production vary largely based on the location, owing to differences in renewable energy resources, as well as the supply chain dynamics. This study maps the techno-economic and life cycle greenhouse gas emissions of renewable hydrogen production in the Middle East and North Africa region, leveraging abundant solar and wind resources. The work investigates the variability in hydrogen costs and CI, optimally sizing proton-exchange membrane (PEM) electrolyzers to account for partial and cyclic loading, and explores standalone versus grid-connected systems. PEM capacity ratios of 52 %–63 % for photovoltaic (PV) systems and 28 %–82 % for wind systems were identified as optimal, with hydrogen production costs ranging from $\$3.8$-$\$4.8$/kg for PV and $2.0-$7.0/kg for wind. CIs span from 1.9 to 3.7 kg CO 2 ,eq /kg H 2 for PV and 0.4–7.7 kg CO 2,eq /kg H 2 for wind systems. The study highlights significant cost and CI reductions achievable with technological advancements and co-product revenue from oxygen and excess electricity sales.

Carbon Intensity↗
DOE OSTI2024

Light-induced Kondo-like exciton-spin interaction in neodymium(II) doped hybrid perovskite

Abstract Tuning the properties of a pair of entangled electron and hole in a light-induced exciton is a fundamentally intriguing inquiry for quantum science. Here, using semiconducting hybrid perovskite as an exploratory platform, we discover that Nd 2+ -doped CH 3 NH 3 PbI 3 (MAPbI 3 ) perovskite exhibits a Kondo-like exciton-spin interaction under cryogenic and photoexcitation conditions. The feedback to such interaction between excitons in perovskite and the localized spins in Nd 2+ is observed as notably prolonged carrier lifetimes measured by time-resolved photoluminescence, ~10 times to that of pristine MAPbI 3 without Nd 2+ dopant. From a mechanistic standpoint, such extended charge separation states are the consequence of the trap state enabled by the antiferromagnetic exchange interaction between the light-induced exciton and the localized 4 f spins of the Nd 2+ in the proximity. Importantly, this Kondo-like exciton-spin interaction can be modulated by either increasing Nd 2+ doping concentration that enhances the coupling between the exciton and Nd 2+ 4 f spins as evidenced by elongated carrier lifetime, or by using an external magnetic field that can nullify the spin-dependent exchange interaction therein due to the unified orientations of Nd 2+ spin angular momentum, thereby leading to exciton recombination at the dynamics comparable to pristine MAPbI 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2022

Silicon nitride stress-optic microresonator modulator for optical control applications

Modulation-based control and locking of lasers, filters and other photonic components is a ubiquitous function across many applications that span the visible to infrared (IR), including atomic, molecular and optical (AMO), quantum sciences, fiber communications, metrology, and microwave photonics. Today, modulators used to realize these control functions consist of high-power bulk-optic components for tuning, sideband modulation, and phase and frequency shifting, while providing low optical insertion loss and operation from DC to 10s of MHz. In order to reduce the size, weight and cost of these applications and improve their scalability and reliability, modulation control functions need to be implemented in a low loss, wafer-scale CMOS-compatible photonic integration platform. The silicon nitride integration platform has been successful at realizing extremely low waveguide losses across the visible to infrared and components including high performance lasers, filters, resonators, stabilization cavities, and optical frequency combs. Yet, progress towards implementing low loss, low power modulators in the silicon nitride platform, while maintaining wafer-scale process compatibility has been limited. Here we report a significant advance in integration of a piezo-electric (PZT, lead zirconate titanate) actuated micro-ring modulation in a fully-planar, wafer-scale silicon nitride platform, that maintains low optical loss (0.03 dB/cm in a 625 µm resonator) at 1550 nm, with an order of magnitude increase in bandwidth (DC - 15 MHz 3-dB and DC - 25 MHz 6-dB) and order of magnitude lower power consumption of 20 nW improvement over prior PZT modulators. The modulator provides a >14 dB extinction ratio (ER) and 7.1 million quality-factor (Q) over the entire 4 GHz tuning range, a tuning efficiency of 162 MHz/V, and delivers the linearity required for control applications with 65.1 dB·Hz 2/3 and 73.8 dB·Hz 2/3 third-order intermodulation distortion (IMD3) spurious free dynamic range (SFDR) at 1 MHz and 10 MHz respectively. We demonstrate two control applications, laser stabilization in a Pound-Drever Hall (PDH) lock loop, reducing laser frequency noise by 40 dB, and as a laser carrier tracking filter. This PZT modulator design can be extended to the visible in the ultra-low loss silicon nitride platform with minor waveguide design changes. This integration of PZT modulation in the ultra-low loss silicon nitride waveguide platform enables modulator control functions in a wide range of visible to IR applications such as atomic and molecular transition locking for cooling, trapping and probing, controllable optical frequency combs, low-power external cavity tunable lasers, quantum computers, sensors and communications, atomic clocks, and tunable ultra-low linewidth lasers and ultra-low phase noise microwave synthesizers.

Wang, Jiawei (ORCID:0000000257965220)↗
NASA NTRS1977

GEOS-3 Doppler difference tracking

The Doppler difference method as applied to track the GEOS 3 spacecraft is discussed. In this method a pair of 2 GHz ground tracking stations simultaneously track a spacecraft beacon to generate an observable signal in which bias and instability of the carrier frequency cancel. The baselines are formed by the tracking sites at Bermuda, Rosman, and Merritt Island. Measurements were made to evaluate the effectiveness of the Doppler differencing procedure in tracking a beacon target with the high dynamic rate of the GEOS 3 orbit. Results indicate the precision of the differenced data to be at a level comparable to the conventional precise two way Doppler tracking.

Rosenbaum, B.↗
NASA NTRSDate not supplied

Modeling and Analysis of Stirling Power Convertors

Modeling and Analysis of Stirling Power Convertors Luis A. Rodriguez1 Steven M. Geng, Terry V. Reid, Scott D. Wilson NASA Glenn Research Center, Cleveland, OH, 44135, USA NASA Glenn’s Thermal Energy Conversion Branch is supporting the development of the next generation free-piston Stirling power convertors. American Superconductor (AMSC) and Sunpower Inc. are the two firms under contract to develop the Flexure Isotope Stirling Convertor (FISC) and the Sunpower Robust Stirling Convertor (SRSC), respectively. To comprehend and forecast convertor performance, Sage, ANSYS® Maxwell, and ANSYS® Fluent were used to model the Stirling thermodynamic cycle, alternator electromagnetics, and piston and displacer dynamics. I. Introduction Stirling convertors are being developed by NASA as a potential steady source of electrical power for NASA’s future scientific space missions. Currently, NASA Glenn Research Center has two corporations under contract, American Superconductor (AMSC) and Sunpower Inc., for the development of the next generation of free-piston Stirling convertors for dynamic radioisotope power systems. AMSC is developing the Flexure Isotope Stirling Convertor (FISC), which uses flexures to prevent side motion and rubbing of the piston. Similarly, Sunpower Inc, is developing the Sunpower Robust Stirling Convertor (SRSC). The SRSC uses gas bearings to prevent radial contact of the moving piston. As convertor development continues, it is increasingly important to understand and predict the interactions of components in the system, how they respond to one another, and how they perform as a response to changes in operating conditions. A suitable and enlightening way to demonstrate and foresee these interactions is with the use of accurate modeling software. Sage, ANSYS® Maxwell, and ANSYS® Fluent are the current modeling tools used by NASA to analytically determine convertor performance. Sage is a one-dimensional object-oriented commercial software package used for modeling and optimizing Stirling convertors for Dynamic Radioisotope Power Systems (DRPS) and it is one of the most accurate Stirling convertor codes in use by NASA. This code is the successor to GLIMPS (Globally-Implicit Stirling Cycle Simulation) and GLOP (GLIMPS Optimization) software created by Gedeon Associates [1]. Model input parameters are typically material/gas type, component physical dimensions, temperatures, frequency, charge pressure, and number of time/space nodes. Sage is used to model both the FISC’s and SRSC’s Stirling cycle thermodynamics and piston/displacer dynamics. Performance maps were created and analyzed for both power systems to better understand the relationship between the following conditions: cold-end temperature, hot-end temperature, piston/displacer amplitudes, pressure drop, and thermal input power. The synergy between these conditions will help determine parameter sensitivity. ANSYS® Maxwell was used to create a three-dimensional (3-D) axisymmetric model for both FISC and SRSC alternators. The significant physical components included in each model are the magnets, magnet carrier, outer/inner laminations, and the coil. Inputs to the model are piston amplitude, piston frequency, alternator load, coil resistance, tuning capacitance, and specific material properties. The alternator models calculate terminal voltage, current, piston/current phase, voltage/current phase, coil inductance, terminal power and efficiency. The RI2 losses, core (hysteresis and eddy) losses, and magnet/can eddy losses are also a part of the final results. ANSYS® Fluent is used to build 3-D computational fluid dynamic (CFD) models to examine the Stirling cycle thermodynamics for both the FISC and SRSC systems. Three-dimensional Computer Aided Design (CAD) models were used to create the physical components of each convertor. Steady-state simulations were conducted for hardware testing, prediction of environmental losses during testing, and generation of radiation look-up tables. The model inputs to the aforementioned analysis are the material properties and boundary thermal conditions. The steady-state model calculates temperature and heat flow distributions. Transient 3-D calculations were also part of the CFD analysis. In this study a physically reduced version of the FISC is used to obtain a prediction of available engine power. For the gas bearing SRSC, the transient effort is used to obtain a prediction of bearing pad performance and its sensitivity to micro-channel geometric variation. The model inputs to the transient simulations are the piston amplitude, displacer amplitude, frequency, displacer/piston phase angle, dynamic deforming CFD grid, temperature boundary conditions, and user defined files describing motion profile of piston/displacer. The results of the model are temperature distributions, heat distributions, and PV power produced at pre-determined conditions.

Luis A Rodriguez↗
DOE OSTI2025

Unraveling the Atomic Mechanism of the Crystalline Phase‐Dependent Structural Features and Special Spectral Design of α‐, β‐, and Ɛ‐Ga₂O₃

Atomic‐scale phase transformations profoundly influence the functional properties of Ga₂O₃ polymorphs. By combining irradiation experiments with microstructure characterization and theoretical approaches, phase‐specific energy‐dissipation pathways in α‐, β‐, and ε‐Ga₂O₃ are uncovered and strategies for targeted property design are outlined. Competing antiphase boundaries (APBs) and twin domain boundaries (TDBs) promote irreversible α→ε interconversion through domain fragmentation. In β‐Ga₂O₃, defect‐induced stress gradients drive two distinct local transformations: surface Ga‐aggregated β→δ that stabilizes transient states, and latent‐track‐confined β→κ phase transition with recoverable distortions via cation reordering. Under electronic excitation, β‐Ga₂O₃ forms nanohillocks via robust GaO₆ octahedra (high density/strong Ga─O bonds), while α/ε‐Ga₂O₃ generates nanopores from tetrahedral Ga looseness (low bonding energy), highlighting phase‐dependent surface dynamics shaped by atomic packing and bonding anisotropy. Defect‐regulated recombination suppresses visible photoluminescence in α/β‐Ga₂O₃, whereas in ε‐Ga₂O₃ bandgap narrowing of ΔE: 0.30 eV is observed, enhancing emission. Linking phase‐dependent defect‐carrier interactions and metastable‐phase engineering in Ga₂O₃ enables property optimization for power‐electronics and optoelectronics devices.

electronic state configuration↗