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11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdBi by Materials Project

Bi(Nd) is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded to six equivalent Bi atoms to form a mixture of edge and corner-sharing NdBi6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–Bi bond lengths are 3.26 Å. Bi is bonded to six equivalent Nd atoms to form a mixture of edge and corner-sharing BiNd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
NASA NTRS2023

Huntsville Urban Development II: Utilizing NASA Earth Observations to Map the Urban Heat Island and Evaluate Vulnerability in Huntsville, Alabama

Huntsville, Alabama has seen a boom in growth over recent years. One consequence of this urban expansion is the exacerbation of the Urban Heat Island (UHI) effect across the city. This project identified the areas within Huntsville the greatest potential for heat reduction and community health benefits from tree-planting efforts. The team created maps of land surface temperature (LST), the normalized difference vegetation index (NDVI), and the normalized difference built-up index (NDBI) over June through August from 2019 to 2022 using data from ECOsystem Spaceborne Thermal Radiometer Experiment on Space Station, Landsat 8 Operational Land Imager (OLI) and Thermal Infrared Sensor (TIRS), Landsat 9 OLI-2 and TIRS-2. The team identified areas with high LST, low NDVI, and high NDBI as areas with the greatest potential for heat reduction via tree-planting. Social factors relating to age, race, income, and self-reported health were adapted from Tree Equity Score to map community need for tree cover. When combining social with environmental factors, the team determined areas with the greatest potential for UHI mitigation: west-central and north downtown Huntsville. The team’s partner organization, the City of Huntsville, can use this priority map to guide their future tree-planting, and weigh the factors assessed according to their preference.

James Karroum↗
DOE OSTI2021

Thermodynamic properties of the Nd-Bi system via emf measurements, $\mathrm{DFT}$ calculations, machine learning, and $\mathrm{CALPHAD}$ modeling

Thermodynamic properties of the Nd-Bi system were investigated using a combination of experimental measurements, first-principles calculations based on density functional theory (DFT), data mining and machine learning (DM + ML) predictions, and calculation of phase diagrams (CALPHAD) modeling. The electromotive force (emf) of Nd-Bi alloys in molten LiCl-KCl-NdCl 3 at 773–973 K was measured via coulometric titration of Nd into Bi for the determination of thermochemical properties such as activity coefficients and solubilities of Nd in Bi. A new peritectic reaction of [liquid + NdBi 2 = Nd 3 Bi 7 ] at 774 K was confirmed using differential scanning calorimetry, structural (X-ray diffraction), and microstructural (scanning electron microscopy) analyses. The unknown crystal structure of NdBi2 was suggested to be a mixture of the anti-La 2 Sb configuration and the La 2 Te-type configuration based on ML predictions for over 26,000 data-mined AB 2 -type configurations together with DFT-based verifications. Using the newly acquired experimental data and DFT-based calculations, the thermodynamic description of the Nd-Bi system was remodeled, and a more complete Nd-Bi phase diagram was calculated, including the Nd 3 Bi 7 compound, invariant transition reactions, and liquidus temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Emergence of Fermi arcs due to magnetic splitting in an antiferromagnet

The Fermi surface plays an important role in controlling the electronic, transport and thermodynamic properties of materials. As the Fermi surface consists of closed contours in the momentum space for well-defined energy bands, disconnected sections known as Fermi arcs can be signatures of unusual electronic states, such as a pseudogap. Another way to obtain Fermi arcs is to break either the time-reversal symmetry or the inversion symmetry of a three-dimensional Dirac semimetal, which results in formation of pairs of Weyl nodes that have opposite chirality, and their projections are connected by Fermi arcs at the bulk boundary. Here, we present experimental evidence that pairs of hole- and electron-like Fermi arcs emerge below the Neel temperature (TN) in the antiferromagnetic state of cubic NdBi due to a new magnetic splitting effect. The observed magnetic splitting is unusual, as it creates bands of opposing curvature, which change with temperature and follow the antiferromagnetic order parameter. This is different from previous theoretically considered and experimentally reported cases of magnetic splitting, such as traditional Zeeman and Rashba, in which the curvature of the bands is preserved. Therefore, our findings demonstrate a type of magnetic band splitting in the presence of a long-range antiferromagnetic order that is not readily explained by existing theoretical ideas.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Unconventional surface state pairs in a high-symmetry lattice with anti-ferromagnetic band-folding

Many complex magnetic structures in a high-symmetry lattice can arise from a superposition of well-defined magnetic wave vectors. These “multi-q” structures have garnered much attention because of interesting real-space spin textures such as skyrmions. However, the role multi-q structures play in the topology of electronic bands in momentum space has remained rather elusive. Here we show that the type-I anti-ferromagnetic 1q, 2q and 3q structures in an face-centered cubic sublattice with band inversion, such as NdBi, can induce unconventional surface state pairs inside the band-folding hybridization bulk gap. Our density functional theory calculations match well with the recent experimental observation of unconventional surface states with hole Fermi arc-like features and electron pockets below the Neel temperature. We further show that these multi-q structures have Dirac and Weyl nodes. Our work reveals the special role that band-folding from anti-ferromagnetism and multi-q structures can play in developing new types of surface states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Rare-earth monopnictides: Family of antiferromagnets hosting magnetic Fermi arcs

We report since the discovery of topological insulators a great deal of research effort has been devoted to magnetic topological materials, in which nontrivial spin properties can be controlled by magnetic fields, culminating in a wealth of fundamental phenomena and possible applications. The main focus was on ferromagnetic materials that can host Weyl fermions and therefore spin-textured Fermi arcs. The recent discovery of Fermi arcs and new magnetic band splitting in the antiferromagnet (AFM) NdBi has opened up new avenues for exploration. Here we show that these uncharted effects are not restricted to this specific compound, but also emerge in CeBi and NdSb when they undergo paramagnetic to AFM transition. Our data show that the Fermi arcs in NdSb have twofold symmetry, leading to strong anisotropy that may enhance effects of spin textures on transport properties. Our findings thus demonstrate that the RBi and RSb series are materials that host magnetic Fermi arcs and may be a potential platform for modern spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Directional effects of antiferromagnetic ordering on the electronic structure in NdSb

The recent discovery of unconventional surface-state pairs, which give rise to Fermi arcs and spin textures, in antiferromagnetically ordered NdBi raised the interest in rare-earth monopnictides. Several scenarios of antiferromagnetic (AFM) order have been suggested to explain the origin of these states with some of them being consistent with the presence of nontrivial topologies. Here, in this paper, we use angle-resolved photoemission spectroscopy (ARPES) and density-functional-theory (DFT) calculations to investigate the electronic structure of NdSb. We found the presence of distinct domains that have different electronic structures at the surface. These domains correspond to different orientations of magnetic moments in the AFM state with respect to the surface. We demonstrated remarkable agreement between DFT calculations and ARPES that capture all essential changes in the band structure caused by the transition to a magnetically ordered state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Long-range magnetic order induced surface state in GdBi and DyBi

The recent discovery of unconventional surface-state pairs, which give rise to Fermi arcs and spin textures, in antiferromagnetically ordered rare-earth monopnictides attracted the interest in these materials. Here, we use angle-resolved photoemission spectroscopy measurements in conjunction with density functional theory calculations to investigate the evolution of the electronic structure of GdBi and DyBi. We find that new surface states, including a Dirac cone, emerge in the antiferromagnetic (AFM) state. However, they are located along a direction in momentum space that is different than what was found in NdSb, NdBi, and CeBi. The observed changes in the electronic structure are consistent with the presence of AFM-II-A type order.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Urban Land Surface Temperature Downscaling in Chicago: Addressing Ethnic Inequality and Gentrification

In this study, we developed a XGBoost-based algorithm to downscale 2 km-resolution land surface temperature (LST) data from the GOES satellite to a finer 70 m resolution, using ancillary variables including NDVI, NDBI, and DEM. This method demonstrated a superior performance over the conventional TsHARP technique, achieving a reduced RMSE of 1.90 °C, compared to 2.51 °C with TsHARP. Our approach utilizes the geostationary GOES satellite data alongside high-resolution ECOSTRESS data, enabling hourly LST downscaling to 70 m—a significant advancement over previous methodologies that typically measure LST only once daily. Applying these high-resolution LST data, we examined the hottest days in Chicago and their correlation with ethnic inequality. Our analysis indicated that Hispanic/Latino communities endure the highest LSTs, with a maximum LST that is 1.5 °C higher in blocks predominantly inhabited by Hispanic/Latino residents compared to those predominantly occupied by White residents. This study highlights the intersection of urban development, ethnic inequality, and environmental inequities, emphasizing the need for targeted urban planning to mitigate these disparities. The enhanced spatial and temporal resolution of our LST data provides deeper insights into diurnal temperature variations, crucial for understanding and addressing the urban heat distribution and its impact on vulnerable communities.

Lee, Jangho (ORCID:0000000289421092)↗
NASA NTRSDate not supplied

Establishing an Urban Heat Exposure Severity Index for Infrastructure Prioritization in Tempe, Arizona, Using NASA Earth Observations and LiDAR

Located on the banks of the Salt River in the Sonoran Desert, Tempe, Arizona, features a semi-arid climate with summer daily maximum temperatures regularly exceeding 37.8°C. Tempe is also subject to the southwestern monsoon season from July-September and the humidity exacerbates the high temperatures. Furthermore, the rapid urbanization experienced in Tempe has resulted in an intensification of the urban heat island. The summer of 2020 shattered the previous record of days exceeding 43.4°C, leading to higher energy and water costs, lower comfort, and increased risk of heat stroke for residents. Recognizing the impacts of extreme heat, the City of Tempe partnered with the Healthy Urban Environments initiative and NASA DEVELOP to identify census tracts that experience a higher mean land surface temperature than the city average. The NASA DEVELOP team used remotely sensed land surface temperature (LST), normalized difference vegetation index (NDVI), normalized difference built-up index (NDBI), normalized difference water index (NDWI), and albedo data calculated from Aqua Moderate Resolution Imaging Spectroradiometer (MODIS) and Landsat 8 Operational Land Imager (OLI) and Thermal Infrared Sensor (TIRS) instruments from 2015 to 2020 to create heat hazard and exposure maps. LiDAR point cloud data, provided by the United States Geological Survey through Arizona State University’s Map and Geospatial Hub, were used to derive 3D buildings, building footprints, and tree point data for a shading analysis of walking paths, roads, and buildings at the census tract level. In situ meteorological measurements including air temperature and humidity were used to compare the macro-scale temperature measurements. The team worked with the City of Tempe to develop a methodology to process available data and identify areas of highest concern for urban heat effects within the city. With these insights, Tempe, Arizona can better address these issues with data-driven information to make decisions regarding heat mitigation and adaptation efforts.

John Dialesandro↗