Abstract

Mechanical alloying (MA) process was introduced to produce nanocrystalline TiFe1–xNix alloys (0 ≤ x ≤ 1). XRD analysis showed that, firstly, after 25 h of milling, the starting mixture of the elements had decomposed into an amorphous phase and, secondly, the annealing in high purity argon at 750 °C for 0.5 h led to formation of the CsCl-type (B2) structures with a crystallite sizes of about 30 nm. These materials, used as negative electrodes for Ni–MH batteries, showed an increase in discharge capacity with a maximum for x = 3/4. The band structure has been studied by the Tight Binding version of the Linear Muffin-Tin method in the Atomic Sphere Approximation (TB LMTO ASA). Increasing content of Ni atoms intensified charge transfer from Ti atoms, extended valence bands and increased the values of the densities of electronic states at the Fermi level.

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