An ab-initio theoretical investigation of the soft-magnetic properties of permalloys

We study Ni80Fe20-based permalloys with the relativistic spin-polarized Korringa-Kohn-Rostoker electronic structure method. Treating the compositional disorder with the coherent potential approximation, we investigate how the magnetocrystalline anisotropy, K, and magnetostriction, lambda, of Ni-rich Ni-Fe alloys vary with the addition of small amounts of non-magnetic transition metals, Cu and Mo. From our calculations we follow the trends in K and lambda and find the compositions of Ni-Fe-Cu and Ni-Fe-Mo where both are near zero. These high permeability compositions of Ni-Fe-Cu and Ni-Fe-Mo match well with those discovered experimentally. We monitor the connection of the magnetic anisotropy with the number of minority spin electrons, Nmin. By raising Nmin via artificially increasing the band-filling of Ni80Fe20, we are able to reproduce the key features that underpin the magnetic softening we find in the ternary alloys. The effect of band-filling on the dependence of magnetocrystalline anisotropy on atomic short-range order in Ni80Fe20 is also studied. Our calculations, based on a static concentration wave theory, indicate that the susceptibility of the high permeability of the Ni-Fe-Cu and Ni-Fe-Mo alloys to their annealing conditions is also strongly dependent on the alloys' compositions. An ideal soft magnet appears from these calculations.Comment: 20 pages, 6 figure

Effects of short-range order on the electronic structure of disordered metallic systems

For many years the Korringa-Kohn-Rostoker coherent-potential approximation (KKR-CPA) has been widely used to describe the electronic structure of disordered systems based upon a first-principles description of the crystal potential. However, as a single-site theory the KKR-CPA is unable to account for important environmental effects such as short-range order (SRO) in alloys and spin fluctuations in magnets, amongst others. Using the recently devised KKR-NLCPA (where NL stands for nonlocal), we show how to remedy this by presenting explicit calculations for the effects of SRO on the electronic structure of the bcc Cu_{50}Zn_{50} solid solution.Comment: 8 pages, 6 figures, Revised versio

Temperature dependent magnetic anisotropy in metallic magnets from an ab-initio electronic structure theory: L1_0-ordered FePt

On the basis of a first-principles, relativistic electronic structure theory of finite temperature metallic magnetism, we investigate the variation of magnetic anisotropy, K, with magnetisation, M, in metallic ferromagnets. We apply the theory to the high magnetic anisotropy material, L1_0-ordered FePt, and find its uniaxial K consistent with a magnetic easy axis perpendicular to the Fe/Pt layering for all M and to be proportional to M^2 for a broad range of values of M. For small M, near the Curie temperature, the calculations pick out the easy axis for the onset of magnetic order. Our results are in good agreement with recent experimental measurements on this important magnetic material.Comment: 4 pages, 2 figure

Electronic structure and x-ray magnetic dichroism in random substitutional alloys of f-electron elements

The Koringa-Kohn-Rostoker —coherent-potential-approximation method combines multiple-scattering theory and the coherent-potential approximation to calculate the electronic structure of random substitutional alloys of transition metals. In this paper we describe the generalization of this theory to describe f-electron alloys. The theory is illustrated with a calculation of the electronic structure and magnetic dichroism curves for a random substitutional alloy containing rare-earth or actinide elements from first principles

No evidence of neural adaptations following chronic unilateral isometric training of the intrinsic muscles of the hand: a randomized controlled study

Purpose: To test whether long-term cortical adaptations occur bilaterally following chronic unilateral training with a simple motor task. / Methods: Participants (n = 34) were randomly allocated to a training or control groups. Only the former completed a 4-week maximal-intensity isometric training of the right first dorsal interosseus muscle through key pinching. Maximal strength was assessed bilaterally in four different movements progressively less similar to the training task: key, tip and tripod pinches, and handgrip. Transcranial magnetic stimulation was used to probe, in the left and right primary hand motor cortices, a number of standard tests of cortical excitability, including thresholds, intra-cortical inhibition and facilitation, transcallosal inhibition, and sensory-motor integration. / Results: Training increased strength in the trained hand, but only for the tasks specifically involving the trained muscle (key +8.5 %; p < 0.0005; tip +7.2 %; p = 0.02). However, the effect size was small and below the cutoff for meaningful change. Handgrip and tripod pinch were instead unaffected. There was a similar improvement in strength in the untrained hand, i.e., a cross-education effect (key +6.4 %; p = 0.02; tip +4.7 %; p = 0.007). Despite these changes in strength, no significant variation was observed in any of the neurophysiological parameters describing cortico-spinal and intra-cortical excitability, inter-hemispheric inhibition, and cortical sensory-motor integration. / Conclusions: A 4-week maximal-intensity unilateral training induced bilaterally spatial- and task-specific strength gains, which were not associated to direct or crossed cortical adaptations. The observed long-term stability of neurophysiological parameters might result from homeostatic plasticity phenomena, aimed at restoring the physiological inter-hemispheric balance of neural activity levels perturbed by the exercise. / Trial registration number: ClinicalTrials.gov identifier NCT02010398