Theoretical investigation of Mössbauer hyperfine interactions in ordered FeNi and disordered Fe–Ni alloys

Electronic structure spin-polarized calculations were performed for 79-atoms embedded clusters representing the ordered intermetallic compound FeNi, the fcc Fe-rich disordered alloy Fe₈₅Ni₁₅ in an antiferromagnetic (AFM) configuration, and the ferromagnetic (FM) disordered alloy Fe₅₀Ni₅₀. The spin-polarized discrete variational method (DVM) in Density Functional theory was employed. Spin magnetic moments, as well as the ⁵⁷Fe Mössbauer hyperfine parameters isomer shift and magnetic hyperfine fields, were obtained from the calculations. For FM Fe₅₀Ni₅₀, the effect of pressure on the hyperfine field and on the isomer shift was investigated, for three different local atomic configurations surrounding the ⁵⁷Fe probe atom. In the case of the isomer shift, the calculated values were compared to reported experimental data.     

Characterization of heat-assisted magnetic probe recording on CoNi/Pt multilayers

A method of heat-assisted magnetic recording (HAMR) potentially suitable for probe-based storage systems is characterized. In this work, field emission current from a scanning tunneling microscope (STM) tip is used as the heating source. Pulse voltages of 2–7 V were applied to a CoNi/Pt multilayered film fabricated on either bare silicon or oxidized silicon substrates. Different types of Ir/Pt and W STM tips were used in the experiment. The results show that thermally recorded magnetic marks are formed with a nearly uniform mark size of 170 nm on the film fabricated on bare silicon substrate when the pulse voltage is above a threshold voltage. The mark size becomes 260 nm when they are written on the identical film fabricated on an oxidized silicon substrate. The threshold voltage depends on the material work function of the tip, with W having a threshold voltage about 1 V lower than Pt. A synthesized model, which contains the calculation of the emission current, the simulation of heat transfer during heating, and the study of magnetic domain formation, was introduced to explain experimental results. The simulation agrees well with the experiments.     

硬盘驱动器巨磁电阻(GMR)磁头:从微米到纳米

近年来电脑硬盘存储密度的飞速增长(年增长100％)已超出摩尔定律的预言．这种惊人的高速增长中，最关键的因素是自旋阀纳米多层膜结构，即巨磁电阻(GMR)读传感器磁头的应用．事实上，巨磁电阻磁头读传感器(reader sensor)已经实现由微电子器件向纳米电子器件转化，并且形成大规模产业．这一过程包含了自旋电子学、材料科学、微电子工程学、化学、微机械力学和工程学等诸学科和相关微加工技术综合性挑战极限，进入纳米科技领域实质性进步．     

Mn-site doping induced CMR properties in calcium rich manganites Pr1‒xCaxMnO3(0.6 ≤ x ≤ 0.7)

Doping of Mn-site by chromium, cobalt and nickel has been investigated in the calcium rich manganites and . Whatever the nature of the doping element, a rapid disappearance of the charge ordered (CO) state is observed, decreasing as the doping rate increases. But the most important result concerns the Cr-doped compounds for which a re-entrant insulator to metal transition at 90-120 K is observed for x =0.10-0.12, in a zero magnetic field. The possibility to induce colossal magnetoresistance (CMR) properties for high (IV) contents ((IV)/) for x =0.07-0.12 is shown for the first time, the resistance ratios reaching at 30 K. This study also shows differently that the small size of the A-site cation (Pr, Ca) is not a redhibitory obstacle to the appearance of CMR properties in manganites, in contrast with previously established phase diagrams. Received: 18 June 1997 / Revised: 4 August 1997 / Accepted: 10 November 1997     

Orbital-selective Mott-insulator transition in Ca 2 - x Sr x RuO 4

The electronic structures of the metallic and insulating phases of the alloy series Ca_2-xSr_xRuO₄ ( 0 ? x ? 2) are calculated using LDA, LDA+U and Dynamical Mean-Field Approximation methods. In the end members the groundstate respectively is an orbitally non-degenerate antiferromagnetic insulator (x = 0) and a good metal (x = 2). For x > 0.5 the observed Curie-Weiss paramagnetic metallic state which possesses a local moment with the unexpected spin S = 1/2, is explained by the coexistence of localized and itinerant Ru-4d-orbitals. For 0.2 < x < 0.5 we propose a state with partial orbital and spin ordering. An effective model for the localized orbital and spin degrees of freedom is discussed. The metal-insulator transition at x = 0.2 is attributed to a switch in the orbital occupation associated with a structural change of the crystal. Received 27 July 2001     

Application of the stabilization method to interacting resonances

The stabilization method is applied to the case of interacting resonances in the photo-dissociation of van der Waals clusters composed by a rare gas atom bound to a dihalogen molecule. The study of an illustrative two-dimensional model consisting in a T-shaped NeI₂ molecule shows the adequacy of the method whenever the projection of the stabilization wave functions on the assumed prepared initial state is accounted for. The agreement of the fragmentation cross-sections with some previous results using the effective resolvent method and accurate close-coupling calculations is excellent. The method reveals its utility as a complementary tool since allows, through the analysis of the stabilization wave function in terms of zero-order levels, a precise characterization of the resonant states involved. Received 5 April 2002 / Received in final form 24 May 2002 Published online 19 July 2002     

Large-scale production of cellulose-binding domains. Adsorption studies using CBD-FITC conjugates

A method for the gram-scale production of cellulose-binding domains (CBD) through the proteolytic digestion of a commercial enzymatic preparation (Celluclast) was developed. The CBD obtained, isolated from Trichoderma reesei cellobiohydrolase I, is highly pure and heavily glycosylated. The purified peptide has a molecular weight of 8.43 kDa, comprising the binding module, a part of the linker, and about 30% glycosidic moiety. Its properties may thus be different from recombinant ones expressed in bacteria. CBD-fluorescein isothiocyanate conjugates were used to study the CBD-cellulose interaction. The presence of fluorescent peptides adsorbed on crystalline and amorphous cellulose fibers suggests that amorphous regions have a higher concentration of binding sites. The adsorption is reversible, but desorption is a very slow process.     

Thickness dependence of the magnetic anisotropy of Fe layers separated by Al

Magnetic multilayers of ⁵⁷Fe with nominal thickness, T _nom, between 0.4 and 1.0 nm separated by 3.0 nm Al spacer layers were prepared by alternate deposition of the constituents in high vacuum. The samples were investigated at 4.2 K in external magnetic field. A fraction of Fe atoms corresponding to about 0.3 nm equivalent Fe-thickness was found to mix into the Al spacer. The extremely strong magnetic anisotropy observed for T _nom < 0.8 nm is attributed to Fe layers of approximately two atomic planes thick. The anisotropy decreases considerably after the building up of the third Fe atomic layer starts at T _nom = 0.8 nm, but full saturation was not achieved even for T _nom = 1 nm and 3 T magnetic field applied perpendicularly to the sample plane.     

Formation and magnetic properties of Co–Fe-based bulk metallic glasses with supercooled liquid region

A new Co–Fe-based ferromagnetic bulk metallic glass (BMG) was synthesized by copper mould casting method. The thermal stability and crystallization processes were investigated by differential scanning calorimetry (DSC) and X-ray diffraction (XRD). The soft magnetic behavior was studied by DC magnetic measurements. The high glass formation ability was interpreted in terms of the effective suppression of nucleation and growth of the intermetallic compounds which appear in the multicomponent system during solidification. The high thermal stability indicates that the new Co–Fe-based BMG could be used as high-temperature magnetic material. The low coercivity which was as low as 8 A/m for the as-cast sample was found in the Co–Fe-based metallic glass cylinder with a diameter of 1.5 mm.