Electronic, magnetic, and structural properties of NiFeMnAl.

Half-metallic Heusler compounds have been extensively studied in the recent years, both experimentally and theoretically, for potential applications in spin-based electronics. Here, we present the results of a combined theoretical and experimental study of the quaternary Heusler compound NiFeMnAl. Our calculations indicate that this material is half-metallic in the ground state and maintains its half-metallic electronic structure under a considerable range of external hydrostatic pressure and biaxial strain.

Decreasing Water Activity Using the Tetrahydrofuran Electrolyte Additive for Highly Reversible Aqueous Zinc Metal Batteries.

Aqueous zinc metal batteries show great promise in large-scale energy storage. However, the decomposition of water molecules leads to severe side reactions, resulting in the limited lifespan of Zn batteries. Here, the tetrahydrofuran (THF) additive was introduced into the zinc sulfate (ZnSO) electrolyte to reduce water activity by modulating the solvation structure of the Zn hydration layer.

study of alloying of MnBi to enhance the energy product.

High energy density magnets are preferred over induction magnets for many applications, including electric motors used in flying rovers, electric vehicles, and wind turbines. However, several issues related to cost and supply with state-of-the-art rare-earth-based magnets necessitate development of high-flux magnets containing low-cost earth-abundant materials. Here, by using first-principles density functional theory, we demonstrate the possibility of tuning magnetization and magnetocrystalline anisotropy of one of the candidate materials, MnBi, by alloying it with foreign elements.

Achieving High Pseudocapacitance Anode by An Nanocrystallization Strategy for Ultrastable Sodium-Ion Batteries.

Conversion/alloying type anodes have shown great promise for sodium-ion batteries (SIBs) because of their high theoretical capacity. However, the poor structural stability derived from the large volume expansion and short lifetime impedes their further practical applications. Herein, we report a novel anode with a pomegranate-like nanostructure of SnPO particles homogeneously dispersed in the robust N-doped carbon matrix.

Perpendicular magnetic anisotropy in half-metallic thin-film CoCrAl.

Magnetocrystalline anisotropy (MCA) is one of the key parameters investigated in spin-based electronics (spintronics), e.g. for memory applications.

Half-metallicity in CrAl-terminated CoCrAl thin film.

Half-metals with high Curie temperature are ideal candidates for applications in spin-based electronics-an emerging technology utilizing a spin degree of freedom in electronic devices. Many half-metallic materials have been predicted theoretically, and some have been confirmed experimentally. At the same time, in thin-film geometry the electronic structure of these materials may change due to the potential presence of surface/interface states.

Half-metallic surfaces in thin-film TiMnAlSn.

Materials exhibiting a high degree of spin polarization in electron transport are in demand for applications in spintronics-an emerging technology utilizing a spin degree of freedom in electronic devices. Room-temperature half-metals are considered ideal candidates, as they behave as an insulator for one spin channel and as a conductor for the other spin channel. In addition, for nano-size devices, one has to take into account possible modification of electronic structure in thin-film geometry, due to the potential presence of surface/interface states.

Effect of boron doping on nanostructure and magnetism of rapidly quenched ZrCo-based alloys.

The role of B on the microstructure and magnetism of ZrCo MoB ribbons prepared by arc melting and melt spinning is investigated. Microstructure analysis show that the ribbons consist of a hard-magnetic rhombohedral ZrCo phase and a minor amount of soft-magnetic Co. We show that the addition of B increases the amount of hard-magnetic phase, reduces the amount of soft-magnetic Co and coarsens the grain size from about 35 nm to 110 nm.

Control of phase in phosphide nanoparticles produced by metal nanoparticle transformation: Fe2P and FeP.

The transformation of Fe nanoparticles by trioctylphosphine (TOP) to phase-pure samples of either Fe(2)P or FeP is reported. Fe nanoparticles were synthesized by the decomposition of Fe(CO)(5) in a mixture of octadecene and oleylamine at 200 degrees C and were subsequently reacted with TOP at temperatures in the region of 350-385 degrees C to yield iron phosphide nanoparticles. Shorter reaction times favored an iron-rich product (Fe(2)P), and longer reaction times favored a phosphorus-rich product (FeP).

Discrete, dispersible MnAs nanocrystals from solution methods: phase control on the nanoscale and magnetic consequences.

Nanocrystals of thermodynamically stable alpha-MnAs (hexagonal NiAs-type) and metastable beta-MnAs (orthorhombic MnP-type) have been synthesized by the reaction of triphenylarsine oxide (Ph(3)AsO) and dimanganesedecacarbonyl (Mn(2)CO(10)) at temperatures ranging from 250 to 330 degrees C in the presence of the coordinating solvent trioctylphosphine oxide (TOPO). Morphologically, both alpha- and beta-MnAs nanoparticles adopt a core-shell type structure with a crystalline core and low-contrast noncrystalline shell. In contrast to prior studies on MnAs particles, disks, and films, the present bottom-up synthesis yields discrete, dispersible MnAs nanoparticles without a structural support.