Photo by a2_foto from unsplash
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… Click to show full abstract
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.
Journal Title: Solid State Communications
Year Published: 2019
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!