Aspects of transition-metal magnetism

Abstract

The following questions are considered: How do itinerant d electrons of the Heusler alloys produce magnetic moments that are completely localized on the Mn atoms? What is the microscopic origin of Invar anomalies? Why is elemental antiferromagnetism confined to Cr, Mn, and Fe? Why do the Fe atoms in Fe 3Si carry two distinctly different magnetic moments? Can we use our understanding of transiton-metal magnetism to "design" new magnetic compounds composed of nonmagnetic elements? Our answers to these questions are based on the local-spin-density theory of electronic exchange and correlation, implemented using parameter-free self-consistent energy-band calculations.