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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Magnetocrystalline anisotropy in UMn 2 Ge 2 and related Mn-based actinide ferromagnets

We present magnetization isotherms in pulsed magnetic fields up to 62 Tesla, supported by first principles calculations, demonstrating a huge uniaxial magnetocrystalline anisotropy energy - approximately 20 MJ/m 3 - in UMn 2 Ge 2 . This large anisotropy results from the extremely strong spin-orbit coupling affecting the uranium 5 f electrons, which in the calculations exhibit a substantial orbital moment exceeding 2 μ B . Finally, we also find from theoretical calculations that a number of isostructural Mn-actinide compounds are expected to have similarly large anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Ferromagnetic superexchange in insulating Cr 2 MoO 6 by controlling orbital hybridization

We report the magnetic and electronic structures of the newly synthesized inverse-trirutile compound Cr 2 MoO 6 . Despite the same crystal symmetry and similar bond-lengths and bond-angles to Cr 2 TeO 6 , Cr 2 MoO 6 possesses a magnetic structure of the Cr 2 MoO 6 type, different from that seen in Cr 2 TeO 6 . Ab-initio electronic structure calculations show that the sign and strength of the Cr-O-Cr exchange coupling is strongly influenced by the hybridization between Mo 4d and O 2p orbitals. This result further substantiates our recently proposed mechanism for tuning the exchange interaction between two magnetic atoms by modifying the electronic states of the non-magnetic atoms in the exchange path through orbital hybridization. This approach is fundamentally different from the conventional methods of controlling the exchange interaction by either carrier injection or through structural distortions.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe 3 GeTe 2

Computationally characterizing magnetic properies of novel two-dimensional (2D) materials serves as an important first step of exploring possible applications. Using density-functional theory, we show that single-layer Fe 3 GeTe 2 is a potential 2D material with sufficiently low formation energy to be synthesized by mechanical exfoliation from the bulk phase with a van der Waals layered structure. In addition, we calculated the phonon dispersion demonstrating that single-layer Fe 3 GeTe 2 is dynamically stable. Furthermore, we find that similar to the bulk phase, 2D Fe 3 GeTe 2 exhibits amagnetic moment that originates from a Stoner instability. In contrast to other 2D materials, we find that single-layer Fe 3 GeTe 2 exhibits a significant uniaxial magnetocrystalline anisotropy energy of 920μ eV per Fe atom originating from spin-orbit coupling. In conclusion, we show that applying biaxial tensile strains enhances the anisotropy energy, which reveals strong magnetostriction in single-layer Fe 3 GeTe 2 with a sizable magneostrictive coefficient. Our results indicate that single-layer Fe 3 GeTe 2 is potentially useful for magnetic storage applications.

36 MATERIALS SCIENCE↗