Abstract
We present first principles calculations of electronic structure and magnetic moment formation of binary UxPd1−x as a function of x. The calculations have been performed within local density approximation of the density functional theory using Augmented plane wave plus local orbital (APW + lo) technique. Applying Stoner criterion, we have examined existence of local moment, which exists for a typical U-concentration of 11% and above. The results show the f band itinerant to localized crossover, with the increase of uranium concentration possibly because of f − f interaction. The results closely agree with experimental values and provides an insight about the 5f electron(s) behavior.
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