Local spin density functional investigations of the chemical bonding and of the magnetism in some uranium ternary intermetallic systems: How physics and chemistry can meet in the solid state

The electronic and magnetic structures of different uranium-based ternary i ntermetallic systems are self-consistently calculated within local spin den sity functional theory using the augmented spherical wave method. The influ ence of hybridization on the chemical bonding and on the magnetic behavior is discussed from the densities of states as well as from the crystal orbit al overlap population. From this we address the mechanisms of chemical bond ing and of the onset of magnetism. The original concept of building blocks between different intermetallic systems is discussed. (C) 2000 John Wiley & Sons, Inc.