8 research outputs found
Magnetism in Iron-Zirconium Systems
The discrete variational method is used to solve the Khon-Sham equation in the spin-polarized local density approximation for Fe-Zr and Fe-Zr-H clusters, representing iron-zirconium and hydrogenated iron-zirconium alloys. The local magnetic moment and hyperfine field at the Fe site were found to decrease, whereas the contact charge density and occupation number were found to increase with Zr contents. The Zr site in clusters with high Fe contents acquires a negative magnetic moment. When H is trapped at an interstitial site next-neighboring an Fe atom, the magnetic moment and hyperfine field are enhanced, while the contact charge density is reduced. ‘The opposite occurs when H occupies a neighboring interstitial site to Fe. For Zr atoms the local magnetic moment is found to become less negative with H at the neighboring position. We conclude from this calculation that H is trapped in Fe-Zr systems at positions which are nearest to Zr and next-nearest to Fe atoms
The magnetism of 3d impurities in alkali metals
Consiglio Nazionale delle Ricerche (CNR). Biblioteca Centrale / CNR - Consiglio Nazionale delle RichercheSIGLEITItal
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The formation of lithiated Ti-doped alpha-Fe2O3 nanocrystalline particles by mechanical milling of Ti-doped lithium spinel ferrite
The milling of spinel-related Ti-doped Li0.5Fe2.5O4 for different times is studied with XRD, Mossbauer spectroscopy and magnetic measurements. Milling converts the material to Li-Ti-doped alpha-Fe2O3 nanocrystalline particles via an intermediate gamma-LiFeO2-related phase. The role played by the dopant Ti-ion in the process is emphasized
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Magnetic properties of nanocrystalline Fecu(x)Cu(1-x) alloys prepared by ball milling
X-ray diffraction, Mossbauer and magnetization measurements were used to study FexCu1-x alloys prepared by ball-milling. The X-ray data show the formation of a nanocrystalline Fe-Cu solid solution. The samples with xgreater than or equal to0.8 and xless than or equal to0.5 exhibit bcc or fcc phase, respectively. Both the bcc and fcc phases are principally ferromagnetic for xgreater than or equal to0.2, but the sample with x=0.1 remains paramagnetic down to 78 K. The influence of the local environment on the hyperfine parameters and the local magnetic moment are discussed using calculations based on the discrete-variational method in the local density approximation