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26 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Interplay of Crystal Structure and Magnetic Properties of the Eu 5.08-x Sr x Al 3 Sb 6 Solid Solution

Zintl phases containing rare-earth metals have gained attention due to their magnetic, electronic, and thermoelectric properties. Eu 5.08 Al 3 Sb 6 is a new structure type (monoclinic space group C2/m) that can be described as a pseudorock-salt EuSb motif with the Eu-centered Sb octahedra at the origin of the unit cell, and on the C-face center, containing either Eu (8%) or an Al 4 tetrahedron modeled as a dual tetrahedron (37.5%). The complete solid solution of Eu 5.08–x Sr x Al 3 Sb 6 can be prepared; however, the cation totals vacillate from 5 to 5.24 depending on the Al content. Al K-edge XANES shows a shift to higher energy relative to the Al metal but at slightly lower energy relative to AlSb, indicating an intermediate oxidation state closer to +3 than 0. The lack of an Al K-edge shift with the incorporation of Sr suggests that changes in Sr content do not have a meaningful impact on the electronics of the Al tetrahedra. Investigation of the solid solution structures provides evidence for classifying this structure type as a polar intermetallic phase with variable composition. Magnetization measurements were collected for the solid solution and show complex magnetic ordering with competing ferromagnetic and antiferromagnetic interactions as the Sr content increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Hot carrier relaxation and inhibited thermalization in superlattice heterostructures: The potential for phonon management

One of the main loss mechanisms in photovoltaic solar cells is the thermalization of photogenerated hot carriers via phonon-mediated relaxation. By inhibiting these relaxation mechanisms and reducing thermalization losses, it may be possible to improve the power conversion efficiency of solar cells beyond the single gap limit. Here, type-II InAs/AlAsSb multi-quantum well (MQW) structures are investigated to study the impact of the phononic properties of the AlAsSb barrier material in hot carrier thermalization. Experimental and theoretical results show that by increasing the barrier thickness (increasing the relative contribution of AlAsSb content in the superlattices), the relaxation of hot carriers is reduced as observed in power-dependent photoluminescence and thermalization analysis. Furthermore, this is attributed to an increase in the phononic bandgap of the MQW with increasing AlAsSb composition reducing the efficiency of the dominant Klemens mechanism as the phononic properties shift toward a more AlSb-like behavior.

14 SOLAR ENERGY↗
DOE OSTI2021

Finding the order in complexity: The electronic structure of 14-1-11 zintl compounds

Yb 14 MnSb 11 and Yb 14 MgSb 11 have rapidly risen to prominence as high-performing p-type thermoelectric materials. However, the fairly complex crystal structure of A 14 MX 11 Zintl compounds renders the interpretation of the electronic band structure obscure, making it difficult to chemically guide band engineering and optimization efforts. In this work, we delineate the valence-balanced Zintl chemistry of A 14 MX 11 compounds using the molecular orbital theory. By analyzing the electronic band structures of Yb 14 MgSb 11 and Yb 14 AlSb 11 , we show that the conduction band minimum is composed of either an antibonding molecular orbital originating from the (Sb 3 ) 7– trimer or a mix of atomic orbitals of A, M, and X. The singly degenerate valence band is comprised of non-bonding Sb pz orbitals primarily from the Sb atoms in the (MSb 4 ) m– tetrahedra and of isolated Sb atoms distributed throughout the unit cell. Such a chemical understanding of the electronic structure enables strategies to engineer electronic properties (e.g., the bandgap) of A 14 MX 11 compounds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1975

Monotectic and syntectic alloys: ASTP experiment MA-044

A postflight preliminary technical evaluation is presented of the returned samples of aluminum antimonide (AlSb) syntectic compound and lead-zinc (PbZn) monotectic immiscible processed during the Apollo-Soyuz Test Project (ASTP) mission. The returned cartridges, extracted ampoules, and removed samples were examined in detail. A genesis of the experiment is given along with a summary of the efforts and various scheduled tests up to the ASTP mission. A tentative characterization plan is developed from the postflight preliminary examination which makes use of the limited number of available samples and is based on the initial observations. It is indicated that a higher degree of compositional homogeneity in aluminum antimonide was achieved under flight test conditions.

Ang, C. Y.↗
NASA NTRS1979

Phase transitions in Group III-V and II-VI semiconductors at high pressure

The structures and transition pressures of Group III-V and II-VI semiconductors and of a pseudobinary system (Ga/x/In/1-x/Sb) have been investigated. Results indicate that GaP, InSb, GaSb, GaAs and possible AlP assume Metallic structures at high pressures; a tetragonal, beta-Sn-like structure is adopted by only InSb and GaSb. The rocksalt phase is preferred in InP, InAs, AlSb, ZnO and ZnS. The model of Van Vechten (1973) gives transition pressures which are in good agreement with measured values, but must be refined to account for the occurrence of the ionic rocksalt structure in some compounds. In addition, discrepancies between the theoretical scaling values for volume changes at the semiconductor-to-metal transitions are observed.

Yu, S. C.↗
NASA NTRS1992

Progress on single barrier varactors for submillimeter wave power generation

Theoretical work on Single Barrier Varactor (SBV) diodes, indicate that the efficiency for a multiplier has a maximum for a considerably smaller capacitance variation than previously thought. The theoretical calculations are performed, both with a simple theoretical model and a complete computer simulation using the method of harmonic balance. Modeling of the SBV is carried out in two steps. First, the semiconductor transport equations are solved simultaneously using a finite difference scheme in one dimension. Secondly, the calculated I-V, and C-V characteristics are input to a multiplier simulator which calculates the optimum impedances, and output powers at the frequencies of interest. Multiple barrier varactors can also be modeled in this way. Several examples on how to design the semiconductor layers to obtain certain characteristics are given. The calculated conversion efficiencies of the modeled structures, in a multiplier circuit, are also presented. Computer simulations for a case study of a 750 GHz multiplier show that InAs diodes perform favorably compared to GaAs diodes. InAs and InGaAs SBV diodes have been fabricated and their current vs. voltage characteristics are presented. In the InAs diode, was the large bandgap semiconductor AlSb used as barrier. The InGaAs diode was grown lattice matched to an InP substrate with InAlAs as a barrier material. The current density is greatly reduced for these two material combinations, compared to that of GaAs/AlGaAs SBV diodes. GaAs based diodes can be biased to higher voltages than InAs diodes.

Nilsen, Svein M.↗