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Materials Data on Ca(GaAs)2 by Materials Project

Ca(GaAs)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Ca(GaAs)2 sheets oriented in the (0, 0, 1) direction. Ca2+ is bonded to six equivalent As3- atoms to form edge-sharing CaAs6 octahedra. All Ca–As bond lengths are 3.03 Å. Ga2+ is bonded in a trigonal non-coplanar geometry to three equivalent As3- atoms. All Ga–As bond lengths are 2.55 Å. As3- is bonded to three equivalent Ca2+ and three equivalent Ga2+ atoms to form a mixture of edge and corner-sharing AsCa3Ga3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Conversion efficiency improvement of ELO GaAs solar cell, deposited on water soluble sacrificial buffer

Here, we demonstrate the improvement of power conversion efficiency of an epitaxially-lifted-off single junction GaAs solar cell deposited on a water-soluble sacrificial buffer architecture by introducing an additional germanium (Ge) interlayer between GaAs and the fluoride buffer. The epitaxial lift-off (ELO) technique has been extensively used to separate III-V device layers from their single crystal GaAs substrates. However, conventional ELO requires the use of concentrated hydrofluoric acid (HF) for extended times to etch out the sacrificial layer, subsequently degrading the surface roughness of the parent wafer. As a result, the wafer has to undergo expensive and intensive chemical mechanical polishing (CMP) processes, costing about 25% of a pristine 6-inch GaAs substrate. In our previous work, we demonstrated a method to eliminating the need for CMP post-processing by using water-assisted ELO (H 2 O-ELO). A water-soluble, 3-layer buffer architecture was developed using alkaline earth compounds. However, devices suffered low performance due to a high defect density in the GaAs active layers. A Ge interlayer was introduced to provide a more favorable surface energy for GaAs growth, which leads to an improvement of GaAs crystal quality. The Ge deposition conditions were optimized to achieve a high-quality Ge layer on triple-layer fluoride buffer. Single junction GaAs devices fabricated on Ge/(Ca,Sr)F 2 /BaF 2 /(Ca,Sr)F 2 showed improvement of solar cell performance parameters featuring increases in V oc by 23.7%, and fill factor (F.F.) by 4.9%, which results in an overall improvement of power conversion efficiency from 10.3% to 12.69%.

14 SOLAR ENERGY↗

Broadband phonon production from axion absorption

We show that axion dark matter in the range meV ≲ m a ≲ 100 meV can incoherently excite phonons in crystal targets with unpolarised nuclear spins. This can occur through its coupling to nuclear spins and/or through its induced time-dependent electric dipole moment in nuclei. Due to the random orientation of the nuclear spins, translation symmetry is broken in the phonon effective theory, allowing axion absorption to create phonons with unrestricted momentum. The absorption rate is therefore proportional to the phonon density of states, which generically has support across a wide range of energies, allowing for a broadband detection scheme. We calculate the absorption rate for solid H 2 , D 2 , Al 2 O 3 , GaAs, H 2 O, D 2 O, Be and Li 2 O, and find that materials containing light, non-zero spin nuclei are the most promising. The predicted rates for the QCD axion are of the order of a few events / 10 kg-year exposure, setting an ambitious target for the required exposure and background suppression.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Topsoil bulk geochemical compositions - An updated harmonized global dataset

Mineral weathering is a key biogeochemical process because of the capacity of minerals to stabilize organic matter. However, predicting soil weathering status across large spatial areas still isn’t possible due to a lack of global data and theoretical frameworks. To address this knowledge gap, multiple global datasets of bulk topsoil geochemical compositions have been harmonized using R. These datasets document topsoil bulk geochemical compositions across five continents (n = ~16,000 observations). Source data for these observations include the EuroGEOSurveys Geochemical Baseline Database (FOREGS), the US Geological Survey National Geochemical Database (NASGLP), the Geochemical Atlas of Australia (GAA), the US Geological Survey Alaska Geochemical Database (AGD84), the National Cooperative Soil Survey (NCSS), the European Geochemical Mapping of Agricultural Soil (GEMAS), Ecorespira-Amazon (ERA), the New Zealand Geochemical Baseline Survey (NZ_GBS), and the African Soil Information Service (AFSIS). Major elements observed include Aluminum (Al), Calcium (Ca), Iron (Fe), Potassium (K), Magnesium (Mg), Sodium (Na), Titanium (Ti), Manganese (Mn), Phosphorus (P), Carbon (C), and Sulfur (S). This data package includes the harmonized dataset itself, and the R scripts necessary to harmonize these datasets, in addition to metadata that describes all columns, files, and databases used in this project. Methods & Sampling Step 1 – Databases of geochemical data identified This study aimed to leverage existing measurements of topsoil geochemical data. Databases were first identified and deemed appropriate for inclusion if they were measuring soils and performed these measurements on the <2mm soil fraction. Databases such as NCSS and AGD84 needed more post processing to include in the database and this was done using the NCSS_datamerge_031626 R file and Alaska_USGSmerge_031626 R file, respectively. Step 2 – Database harmonization Once appropriate databases were identified, they were harmonized for ease of analysis using the R script Database_Harmonization_031826. This included removing columns from original datasets that would not be used in analysis (removed columns are noted in the code). Then, data cleaning procedures specific to each dataset were undertaken. This includes standardizing columns to include units and adding metadata columns regarding procedures for analyzing specific elements. Functions for standardizing measurements and units are outline in R files: calculate element_mg_kg_031626, calculate_oxide_wt_perc_031626, change_oxide_caps_031626, and conv_2_numeric_031626. This also included adding a unique identifier for each sample to identify it with its respective database (see CD_ID in data dictionary). Geographic information: Data reflect a compilation of datasets collected globally. Geographic areas covered by each of the datasets include: - EuroGEOSurveys Geochemical Baseline Database (FOREGS) - European continent - North American Soil Geochemical Landscapes (NASGLP) - continental United States and limited parts of Canada (see database key for more details) - National Geochemical Survey of Australia (GAA) - Australia - Alaska geochemical database (AGDB4) - Alaska - National Cooperative Soil Survey (NCSS) - Global measurements, but concentrated in the continental United States - Geochemical data for arable land and land under permanent grass cover in continental Europe (GEMAS) - continental Europe - Ecorespira-Amazon (ERA) - Geochemical data from the Amazon basin - Geochemical baseline data for New Zealand (NZGBS) - New Zealand - Geochemical data collected across continental Africa (AfSIS) - Measurements across Africa

EARTH SCIENCE > LAND SURFACE > SOILS↗

Solid-phase heteroepitaxy of oriented Sb 2 Se 3 on GaAs for birefringent thin films

Here, we investigate the amorphous-to-crystalline transformation of antimony selenide (Sb 2 Se 3 ) on UHV-prepared GaAs (001) substrates. In the bulk orthorhombic form, Sb 2 Se 3 is a layered quasi-1D semiconductor with highly anisotropic properties of interest for optical and electronic devices. We find that an amorphous layer deposited by molecular beam epitaxy annealed at or above 230 °C yields a textured-epitaxial structure among some randomly oriented domains. The textured-epitaxial Sb 2 Se 3 grains are oriented with the covalently bonded “1D axis” constrained in-plane to GaAs [110] and with multiple van der Waals (hk0) orientations out-of-plane. The same texture was achieved exclusively without randomly oriented grains using continuous-wave laser radiation, highlighting the use of thermal and optical methods to yield anisotropic crystalline Sb 2 Se 3 films directly from the amorphous phase. Polarized reflectance and polarized microscopy confirm the unique state of in-plane birefringence in the crystallized thin film. Overall, we show that solid-phase heteroepitaxy provides additional pathways to the integration of low-symmetry chalcogenide semiconductors for demanding applications where the inherent anisotropy needs to be preserved.

Xiao, Kelly [Stanford Univ., CA (United States)] (↗

Development of a wide bandwidth heterodyne dispersion interferometer for electron density measurement of atmospheric pressure plasmas

One of the challenges of electron density measurements of an atmospheric pressure plasma (APP) with a laser interferometer is the significant and unwanted phase shift caused by changes in the neutral gas density. These unwanted phase shifts can be mitigated and plasma density measured using an interferometer architecture called a dispersion interferometer (DI). A DI is composed of two nonlinear orientation patterned GaAs crystals for frequency doubling and measures the phase shift induced by a plasma in the interference signal between two second-harmonic beams. Measurement of plasma dynamics or a short plasma pulse in less than a millisecond is enabled with heterodyne detection in a DI using an acousto-optic cell with a frequency of 40 MHz. This heterodyne DI (HDI) is targeted to measure APPs in an electron density range of 10 20 –10 24 m −3 . Finally, the HDI achieves a line-integrated density resolution of 2 × 10 15 m −2 (a phase resolution of 0.005°) with a time constant of 1 μs using ensemble averaging techniques.

atmospheric pressure plasma↗

Emissive Colloidal GaAs Quantum Dots

Colloidal quantum dots offer tunable optical properties for optoelectronic applications, but the synthesis of high-quality III–V quantum dots (QDs) other than indium pnictides, and particularly GaAs, has remained elusive due to synthetic challenges. Colloidal GaAs QDs have been reported very recently and have shown only weak band-edge photoluminescence. Here, we demonstrate a large-scale synthesis of colloidal GaAs QDs in molten salts, followed by a high-temperature surface treatment with K 2 S, which removes native oxide and enables uniform zinc chalcogenide shell growth on GaAs. These QDs demonstrate bright band-edge photoluminescence and electroluminescence in QD LED devices. Low-temperature spectroscopy reveals a well-resolved exciton fine structure with distinct bright-state splitting and temperature-independent decay dynamics from 4 to 100 K. These results establish a practical pathway for the preparation of high-quality colloidal GaAs QDs from molten salts with potential applications in quantum technologies and optoelectronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗