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At least 163 records · Page 9

Tantalum pentoxide: a new material platform for high-performance dielectric metasurface optics in the ultraviolet and visible region

Dielectric metasurfaces, composed of planar arrays of subwavelength dielectric structures that collectively mimic the operation of conventional bulk optical elements, have revolutionized the field of optics by their potential in constructing high-efficiency and multi-functional optoelectronic systems on chip. The performance of a dielectric metasurface is largely determined by its constituent material, which is highly desired to have a high refractive index, low optical loss and wide bandgap, and at the same time, be fabrication friendly. Here, we present a new material platform based on tantalum pentoxide (Ta 2 O 5 ) for implementing high-performance dielectric metasurface optics over the ultraviolet and visible spectral region. This wide-bandgap dielectric, exhibiting a high refractive index exceeding 2.1 and negligible extinction coefficient across a broad spectrum, can be easily deposited over large areas with good quality using straightforward physical vapor deposition, and patterned into high-aspect-ratio subwavelength nanostructures through commonly-available fluorine-gas-based reactive ion etching. We implement a series of high-efficiency ultraviolet and visible metasurfaces with representative light-field modulation functionalities including polarization-independent high-numerical-aperture lensing, spin-selective hologram projection, and vivid structural color generation, and the devices exhibit operational efficiencies up to 80%. Our work overcomes limitations faced by scalability of commonly-employed metasurface dielectrics and their operation into the visible and ultraviolet spectral range, and provides a novel route towards realization of high-performance, robust and foundry-manufacturable metasurface optics.

36 MATERIALS SCIENCE↗

Picosecond magneto-optic thermometry measurements of nanoscale thermal transport in AlN thin films

The thermal conductivity Λ of wide bandgap semiconductor thin films, such as AlN, affects the performance of high-frequency devices, power devices, and optoelectronics. However, accurate measurements of Λ in thin films with sub-micrometer thicknesses and Λ > 100 W m -1 K -1 is challenging. Widely used pump/probe metrologies, such as time–domain thermoreflectance (TDTR) and frequency–domain thermoreflectance, lack the spatiotemporal resolution necessary to accurately quantify thermal properties of sub-micrometer thin films with high Λ. In this work, we use a combination of magneto-optic thermometry and TiN interfacial layers to significantly enhance the spatiotemporal resolution of pump/probe thermal transport measurements. We use our approach to measure Λ of 100, 400, and 1000 nm AlN thin films. We coat AlN thin films with a ferromagnetic thin-film transducer with the geometry of (1 nm-Pt/0.4 nm-Co) x3 /(2 nm-TiN). This PtCo/TiN transducer has a fast thermal response time of <50 ps, which allows us to differentiate between the thermal response of the transducer, AlN thin film, and substrate. For the 100, 400, and 1000 nm thick AlN films, we determine Λ to be 200 ± 80, 165 ± 35, and 300 ± 70 W m -1 K -1 , respectively. We conclude with an uncertainty analysis that quantifies the errors associated with pump/probe measurements of thermal conductivity, as a function of transducer type, thin-film thermal conductivity, and thin-film thickness. Time resolved magneto-optic Kerr effect experiments can measure films that are three to five times thinner than is possible with standard pump/probe metrologies, such as TDTR. This advance in metrology will enable better characterization of nanoscale heat transfer in high thermal conductivity material systems like wide bandgap semiconductor heterostructures and devices.

36 MATERIALS SCIENCE↗

Monolithic Bifacial Halide Perovskite-Cadmium Selenide Telluride (CST) Tandem Thin-Film Solar Cells (Final Technical Report)

In this project, we develop a bifacial tandem design for monolithic metal halide perovskite-cadmium selenide telluride (CST) tandem solar cells. The bifacial tandem design not only enables the monolithic integration of perovskite-CST tandems but also delivers high efficiency by harvesting the albedo light. It also allows better current match and thus enables higher power output of the tandem devices than conventional tandem cells. We worked on understanding the critical factors limiting bifacial CST cells and developing strategies to improve their bifaciality. We also developed efficient wide-bandgap perovskite subcells and interconnecting layers that enable the monolithic perovskite-CST tandem solar cells. We successfully demonstrated prototype monolithic bifacial perovskite-CST tandem solar cells with bifacial equivalent efficiencies of more than 25% under an albedo of 0.4. Additionally, we optimized the wide-bandgap perovskite to realize four-terminal perovskite-CST tandem devices with efficiencies of 25.5% under monofacial illumination. The team disseminated these results to stakeholders in the PV academic and industry and discussed the challenges and major technical barriers for their market entry. The technologies developed in the project are promising but are not yet ready for immediate commercialization. Future fundamental study and R&D work are needed to advance these promising technologies.

14 SOLAR ENERGY↗

Tunneling current modulation in atomically precise graphene nanoribbon heterojunctions

Lateral heterojunctions of atomically precise graphene nanoribbons (GNRs) hold promise for applications in nanotechnology, yet their charge transport and most of the spectroscopic properties have not been investigated. Here, we synthesize a monolayer of multiple aligned heterojunctions consisting of quasi-metallic and wide-bandgap GNRs, and report characterization by scanning tunneling microscopy, angle-resolved photoemission, Raman spectroscopy, and charge transport. Comprehensive transport measurements as a function of bias and gate voltages, channel length, and temperature reveal that charge transport is dictated by tunneling through the potential barriers formed by wide-bandgap GNR segments. The current-voltage characteristics are in agreement with calculations of tunneling conductance through asymmetric barriers. We fabricate a GNR heterojunctions based sensor and demonstrate greatly improved sensitivity to adsorbates compared to graphene based sensors. This is achieved via modulation of the GNR heterojunction tunneling barriers by adsorbates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Exploring the Feasibility and Performance of Perovskite/Antimony Selenide Four-Terminal Tandem Solar Cells

The tandem solar cell presents a potential solution to surpass the Shockley–Queisser limit observed in single-junction solar cells. However, creating a tandem device that is both cost-effective and highly efficient poses a significant challenge. In this study, we present proof of concept for a four-terminal (4T) tandem solar cell utilizing a wide bandgap (1.6–1.8 eV) perovskite top cell and a narrow bandgap (1.2 eV) antimony selenide (Sb 2 Se 3 ) bottom cell. Using a one-dimensional (1D) solar cell capacitance simulator (SCAPS), our calculations indicate the feasibility of this architecture, projecting a simulated device performance of 23% for the perovskite/Sb 2 Se 3 4T tandem device. To validate this, we fabricated two wide bandgap semitransparent perovskite cells with bandgaps of 1.6 eV and 1.77 eV, respectively. These were then mechanically stacked with a narrow bandgap antimony selenide (1.2 eV) to create a tandem structure, resulting in experimental efficiencies exceeding 15%. The obtained results demonstrate promising device performance, showcasing the potential of combining perovskite top cells with the emerging, earth-abundant antimony selenide thin film solar technology to enhance overall device efficiency.

14 SOLAR ENERGY↗

Self-Cooling Multiferroic Magnetic Devices

Increasing switching frequency reduces magnetic volume, but conventional ferrites, used from tens to hundreds of kilohertz, cannot sustain the temperature and frequency ranges demanded by current and emerging wide bandgap and ultrawide bandgap devices. Here, this work presents a novel magnetic material architecture combining nanocrystalline magnetic material and multiferroic layers for megahertz power conversion. The high saturation flux density of nanocrystalline alloys supports miniaturization but is traditionally constrained by excessive losses above 10 kHz. A revolutionary multiferroic material with solid-state cooling via caloric materials is defined that will enable the next generation of magnetic devices for wide-bandgap-integrated designs. This letter highlights the fundamental physics behind this capability alongside early development of a finite element analysis for the multiferroic-based magnetic device using ANSYS, showing that the core achieves more uniform thermal distribution and reduces peak temperature by 9 ° C compared to conventional ferrites.

Soft magnetic materials↗

InGaP Heterojunction Barrier Solar Cells

A new solar-cell structure utilizes a single, ultra-wide well of either gallium arsenide (GaAs) or indium-gallium-phosphide (InGaP) in the depletion region of a wide bandgap matrix, instead of the usual multiple quantum well layers. These InGaP barrier layers are effective at reducing diode dark current, and photogenerated carrier escape is maximized by the proper design of the electric field and barrier profile. With the new material, open-circuit voltage enhancements of 40 and 100 mV (versus PIN control systems) are possible without any degradation in short-circuit current. Basic tenets of quantum-well and quantum- dot solar cells are utilized, but instead of using multiple thin layers, a single wide well works better. InGaP is used as a barrier material, which increases open current, while simultaneously lowering dark current, reducing both hole diffusion from the base, and space charge recombination within the depletion region. Both the built-in field and the barrier profile are tailored to enhance thermionic emissions, which maximizes the photocurrent at forward bias, with a demonstrated voltage increase. An InGaP heterojunction barrier solar cell consists of a single, ultra-wide GaAs, aluminum-gallium-arsenide (AlGaAs), or lower-energy-gap InGaP absorber well placed within the depletion region of an otherwise wide bandgap PIN diode. Photogenerated electron collection is unencumbered in this structure. InGaAs wells can be added to the thick GaAs absorber layer to capture lower-energy photons.

Welser, Roger E.↗

Near-field terahertz nonlinear optics with blue light

Abstract The coupling of terahertz optical techniques to scattering-type scanning near-field microscopy (s-SNOM) has recently emerged as a valuable new paradigm for probing the properties of semiconductors and other materials on the nanoscale. Researchers have demonstrated a family of related techniques, including terahertz nanoscopy (elastic scattering, based on linear optics), time-resolved methods, and nanoscale terahertz emission spectroscopy. However, as with nearly all examples of s-SNOM since the technique’s inception in the mid-1990s, the wavelength of the optical source coupled to the near-field tip is long, usually at energies of 2.5 eV or less. Challenges in coupling of shorter wavelengths (i.e., blue light) to the nanotip has greatly inhibited the study of nanoscale phenomena in wide bandgap materials such as Si and GaN. Here, we describe the first experimental demonstration of s-SNOM using blue light. With femtosecond pulses at 410 nm, we generate terahertz pulses directly from bulk silicon, spatially resolved with nanoscale resolution, and show that these signals provide spectroscopic information that cannot be obtained using near-infrared excitation. We develop a new theoretical framework to account for this nonlinear interaction, which enables accurate extraction of material parameters. This work establishes a new realm of possibilities for the study of technologically relevant wide-bandgap materials using s-SNOM methods.

47 OTHER INSTRUMENTATION↗

3,4‐Dicyanothiophene—a Versatile Building Block for Efficient Nonfullerene Polymer Solar Cells

Abstract In this contribution, a versatile building block, 3,4‐dicyanothiophene (DCT), which possesses structural simplicity and synthetic accessibility for constructing high‐performance, low‐cost, wide‐bandgap conjugated polymers for use as donors in polymer solar cells (PSCs), is reported. A prototype polymer, PB3TCN‐C66, and its cyano‐free analogue polymer PB3T‐C66, are synthesized to evaluate the potential of using DCT in nonfullerene PSCs. A stronger aggregation property in solution, higher thermal transition temperatures with higher enthalpies, a larger dipole moment, higher relative dielectric constant, and more linear conformation are exhibited by PB3TCN‐C66. Solar cells employing IT‐4F as the electron acceptor offer power conversion efficiencies (PCEs) of 11.2% and 2.3% for PB3TCN‐C66 and PB3T‐C66, respectively. Morphological characterizations reveal that the PB3TCN‐C66:IT‐4F blend exhibits better π–π paracrystallinity, a contracted domain size, and higher phase purity, consistent with its higher molecular interaction parameter, derived from thermodynamic calculations. Moreover, PB3TCN‐C66 offers a higher open‐circuit voltage and reduced energy loss than most state‐of‐the‐art wide‐bandgap polymers, without the need of additional electron‐withdrawing substituents. Two additional polymers derived from DCT also demonstrate promising performance with a higher PCE of 13.4% being achieved. Thus, DCT represents a versatile and promising building block for constructing high‐performance, low‐cost, conjugated polymers for application in PSCs.

Zhang, Bo↗

Polarization-induced 2D hole gases in pseudomorphic undoped GaN/AlN heterostructures on single-crystal AlN substrates

A high-conductivity two-dimensional (2D) hole gas is the enabler of wide-bandgap p-channel transistors. Compared to commonly used AlN template substrates with high dislocation densities, the recently available single-crystal AlN substrates are promising to boost the speed and power handling capability of p-channel transistors based on GaN/AlN 2D hole gases (2DHGs) thanks to the much lower dislocation densities and the absence of thermal boundary resistance. Using plasma-assisted molecular beam epitaxy, we report the observation of polarization-induced high-density 2DHGs in undoped pseudomorphic GaN/AlN heterostructures on the single-crystal AlN substrates with high structural quality and atomic steps on the surface. The high-density 2DHG persists down to cryogenic temperatures with a record high mobility exceeding 280 cm 2 /V s and a density of 2.2 × 10 13 /cm 2 at 10 K. These results shed light on aspects of improving 2D hole mobilities and indicate significant potential of GaN/AlN 2DHG grown on bulk AlN substrates for future high performance wide-bandgap p-channel transistors.

36 MATERIALS SCIENCE↗

Anisotropy in Thermal Conductivity of Ga2O3 under Irradiation: Ab-initio Investigations

Ga2O3 is a wide-bandgap semiconducting material known for its high breakdown electric field and thermal stability. Its various crystalline forms have shown great potential in power electronics, optoelectronics, and high-temperature applications. Specifically, ß-Ga2O3 has been recognized for its suitability in neutron and gamma radiation detection, making it ideal for sensor and detector applications [1]. Notably, ß-Ga2O3 exhibits anisotropic thermal conductivity, meaning that the magnitude of thermal conductivity varies with the crystallographic direction [2]. Under neutron irradiation, Ga2O3 undergoes a significant phenomenon, resulting in the formation of Helium bubbles within its crystalline matrix. The presence of Helium in Ga2O3 has been found to influence the material's anisotropic thermal conductivity. In this study, the objectives were twofold: firstly, to employ Density Functional Theory (DFT) to determine the most probable sites of Helium occupation in ß-Ga2O3, and secondly, to investigate the anisotropic variation in thermal conductivity when Helium is present in the crystalline matrix of ß-Ga2O3. These ab-initio DFT studies provide crucial insights into understanding the behavior of Helium in Ga2O3 and its impact on thermal conductivity, which can contribute to further advancements in sensor and detector applications based on this wide-bandgap semiconductor.

36 MATERIALS SCIENCE↗

Performance of Heterostructural TaC/AlGaN Schottky Diodes Based on First Principles Electronic Structure Properties

Advances in ultra-wide bandgap materials, such as high Al-content AlxGa1-xN (AlGaN), are essential for next generation power electronics, but the requirement for lattice matched substrates is currently a significant obstacle. Recently, conductive TaC has emerged as a promising virtual substrate for AlGaN heteroepitaxy, with wurtzite (0001) AlxGa1-xN lattice-matched to rocksalt (111) TaC at x ~ 0.5. Thus, understanding and controlling the electronic properties of the TaC/AlGaN interface is key for developing technological applications based on TaC/AlGaN devices. Using density functional theory and electronic structure calculations, we here investigate TaC/Al0.5Ga0.5N interfaces, where we include explicit alloy models in the slab calculations. We predict the Schottky barrier height and the electric field discontinuity resulting from interface charges. Considering all possible combinations of (Ta, C) substrate termination, (Al/Ga, N) nucleation, and (Al/Ga, N) polarity, we construct a chemical potential phase diagram to identify the stable interfaces that can be accessed through variation of the synthesis conditions. The predicted interface electronic properties are implemented in device performance simulations to demonstrate a practical design for a strain-free, high-efficiency TaC/AlGaN Schottky diode with a low barrier height and without interface charges, underscoring the potential of TaC as a substrate for ultra-wide bandgap devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Communications Transceivers for Venus Surface Missions

The high temperature of the surface of Venus poses many difficulties. Previous Venus landers have only operated for short durations before succumbing to the heat. NASA Glenn Research Center conducted a study on communications for long duration Venus surface missions. I report the findings in this presentation. Current technology allows production of communications transceivers that can operate on the surface of Venus, at temperatures above 450 C and pressures of over 90 atmospheres. While these transceivers would have to be relatively simple, without much of the advanced signal processing often used in modern transceivers, since current and near future integrated circuits cannot operate at such high temperatures, the transceivers will be able to meet the requirements of proposed Venus Surface mission. The communication bands of interest are High Frequency or Very High Frequency (HFNHF) for communication between Venus surface and airborne probes (including surface to surface and air to air), and Ultra High Frequency (UHF) to Microwave bands for communication to orbiters. For HFNHF, transceivers could use existing vacuum tube technology. The packaging of the vacuum tubes may need modification, but the internal operating structure already operates at high temperatures. Using metal vacuum structures instead of glass, allows operation at high pressure. Wide bandgap transistors and diodes may be able to replace some of the thermionic components. VHF communications would be useful for line-of- sight operations, while HF would be useful for short-wave type communications using the Venusian ionosphere. UHF and microwave communications use magnetically focused thermionic devices, such as traveling wave tubes (TWTs), magnetron (M-type) amplifiers, and klystrons for high power amplifiers, and backward wave oscillators (BWOs) and reflex klystrons for oscillators. Permanent magnets are already in use in industry that can operate at 500 C. These magnets could focus electron beam tubes on the surface of Venus. While microwave windows will need to be designed for the high pressure, diamond windows have already been demonstrated, so high-pressure microwave windows can be designed and built. Thus, all of these devices could be useful for Venus surface missions. Current electronic power conditioners to supply the high voltages used in these microwave devices cannot operate at high temperatures, but earlier electronic power conditioners that used vacuum tubes can be modified to work at high temperature. Evaluating the various devices in this study, the M-type traveling wave tube (where a traveling wave structure is used in a crossed-field device, similar to the Amplitron used on the Apollo missions) stood out for the high power amplifier since it requires a single high voltage, simplifying the power supply design. Since the receiver amplifier is a low power amplifier, the loss of efficiency in linear beam devices without a depressed collector (and thus needing a single high voltage) is not important; a low noise TWT is a possible solution. Before solid-state microwave amplifiers were available, such TWTs were built with a 1-2 dB noise figure. A microwave triode or transistor made from a wide bandgap material may be preferable, if available. Much of the development work needed for Venusian communication devices will need to focus on the packaging of the devices, and their connections, but the technology is available to build transceivers that can operate on the surface of Venus indefinitely.

Force, Dale A.↗

Electric Drive Technologies Consortium (EDTC)/ Cost competitive, high-Performance, highly Reliable (CPR) Power Devices on 4H-SiC (Final Report)

4H-Silicon carbide (4H-SiC) is a wide bandgap semiconductor that offers superior material properties over silicon, including higher critical electric field, thermal conductivity, and electron saturation velocity. These advantages make 4H-SiC highly attractive for high-voltage, high-efficiency power electronics. However, realizing the full potential of SiC requires device technologies that are not only high-performing but also manufacturable and reliable under real-world operating conditions. This report summarizes the outcomes of a five-year R&D effort funded by the U.S. Department of Energy (DOE) under the Electric Drive Technologies Consortium (EDTC), focused on developing cost-competitive, high-performance, and highly reliable (CPR) power devices on 4H-SiC substrates. The program targeted scalable and manufacturable 1.2 kV-class SiC MOSFETs optimized for next-generation electric vehicles, renewable energy systems, and industrial power conversion. The project delivered transformative advancements in SiC power device performance and ruggedness. Particularly, Specific on-resistance (R on,sp ) was reduced by up to 37%, from ~4.0 m$\Omega \cdot$cm 2 in earlier designs to an industry-leading 2.40 m$\Omega \cdot$cm 2 , driven by optimized doping, refined JFET widths, and layout engineering. Breakdown voltages (BV) exceeded 1600 V, marking improvement over legacy baselines, and demonstrating the robustness of newly implemented junction profiles and edge terminations. Short-circuit withstand time (SCWT) saw a remarkable 4$\times$ increase, from ~2 $\mu$s to over 8 $\mu$s, achieved through the successful deployment of deep P-well structures (~1.8–2.0 $\mu$m) via channeling implantation. This innovative process breakthrough enabled precise junction formation without MeV-class implantation tools, reduced leakage under high field stress, and allowed even the shortest-channel devices (down to 0.3 $\mu$m) to achieve both high BV and excellent ruggedness—breaking the traditional trade-off between conduction efficiency and blocking capability. Several novel architectures pushed the performance envelope further. JBSFETs—featuring embedded Schottky portions—eliminated bipolar degradation and drastically reduced third-quadrant leakage, while Ladder MOSFETs introduced a clever orthogonal conduction path that achieved a 15.4% reduction in R on,sp over standard linear designs. Switching performance reached new benchmarks: short-channel devices showed a 31% reduction in total switching energy compared to 0.5 $\mu$m counterparts, while maintaining manageable gate drive requirements. Layout-optimized structures not only improved transconductance but also accelerated switching transitions, pointing to real-world benefits in converter-level efficiency. The devices also passed rigorous reliability validation. Stress-tested across TDDB, HTGB, HTRB, HVP, and burn-in, the devices screened under 30 V/10 hr and 43 V/1 s protocols consistently exhibited tighter lifetime distributions and long-term oxide robustness. These screening techniques proved effective in identifying latent defects and ensuring deployment-grade reliability. Meanwhile, advanced 3D TCAD simulations revealed and resolved electric field hotspots—particularly in HEXFET corners—where fields exceeding 4.8 MV/cm were mitigated through geometry-aware layout corrections. Overall, the results of this project demonstrate a manufacturable and scalable SiC power device platform that addresses key DOE performance targets for efficient, robust, and reliable 1.2kV 4H-SiC Power Devices. The developed technologies represent a meaningful step forward in the commercial readiness of high-voltage SiC solutions and provide a strong foundation for continued advancement in wide bandgap power electronics.

42 ENGINEERING↗

Bifacial all-perovskite tandem solar cells

The efficiency of all-perovskite tandem devices falls far below theoretical efficiency limits, mainly because a widening bandgap fails to increase open-circuit voltage. We report on a bifacial all-perovskite tandem structures with an equivalent efficiency of 29.3% under back-to-front irradiance ratio of 30. This increases energy yield and reduces the required bandgap of a wide-bandgap cell. Open-circuit voltage deficit is therefore minimized, although its performance under only front irradiance is not ideal. The bifacial device needs a sputtered rear transparent electrode, which could reduce photon path length and deteriorate stability of Pb-Sn perovskites. Embedding a light-scattering micrometer-sized particle layer into perovskite to trap light, effectively increases absorptance by 5 to 15% in the infrared region. Using a nonacidic hole transport layer markedly stabilizes the hole-extraction interface by avoiding proton-accelerated formation of iodine. These two strategies together increase efficiency of semitransparent Pb-Sn cells from 15.6 to 19.4%, enabling fabrication of efficient bifacial all-perovskite tandem devices.

14 SOLAR ENERGY↗

Photoinduced Anion Segregation in Mixed Halide Perovskites

Alloyed lead halide perovskites have taken a dominant role in the quest for third-generation solar cells. This is due to optimal light-harvesting properties, which can be tuned across the visible spectrum by mixing halide (X = Cl – , Br – , and I – ) anions and A + cations (A + = FA + , MA + , and Cs + ). Durability issues related to ion movement within the perovskite lattice, however, impede large-scale commercialization. Uniformly mixed halide perovskites [e.g., APb(I 1– x Br x ) 3 ] reversibly segregate into narrow bandgap I-rich and wide bandgap Br-rich domains during continuous visible illumination. Subsequent I-rich domains reduce local open circuit voltages and decrease mixed halide perovskite solar cell power conversion efficiencies. In this review, we assess the known effects of halide segregation on the structural and optical properties of mixed halide materials, discuss ongoing research to suppress the phenomenon, and finally provide a mechanistic overview of its underlying origins.

36 MATERIALS SCIENCE↗

pyGWBSE: a high throughput workflow package for GW-BSE calculations

Abstract We develop an open-source python workflow package, py GWBSE to perform automated first-principles calculations within the GW-BSE (Bethe-Salpeter) framework. GW-BSE is a many body perturbation theory based approach to explore the quasiparticle (QP) and excitonic properties of materials. GW approximation accurately predicts bandgaps of materials by overcoming the bandgap underestimation issue of the more widely used density functional theory (DFT). BSE formalism produces absorption spectra directly comparable with experimental observations. py GWBSE package achieves complete automation of the entire multi-step GW-BSE computation, including the convergence tests of several parameters that are crucial for the accuracy of these calculations. py GWBSE is integrated with Wannier90 , to generate QP bandstructures, interpolated using the maximally-localized wannier functions. py GWBSE also enables the automated creation of databases of metadata and data, including QP and excitonic properties, which can be extremely useful for future material discovery studies in the field of ultra-wide bandgap semiconductors, electronics, photovoltaics, and photocatalysis.

36 MATERIALS SCIENCE↗