Electronic and magnetic structures and bonding properties of Ce2T2X (T = nd element; X = Mg, Cd, Pb or Sn) intermetallics from first principles
Language
en
Article de revue
This item was published in
Intermetallics. 2014, vol. 51, p. 18-23
Elsevier
English Abstract
The electronic structure and chemical bonding properties of four families of Ce2T2X (T = nd element; X = Mg, Cd, Pb or Sn) intermetallics crystallizing in an ordered U3Si2 type structure are shown from density functional ...Read more >
The electronic structure and chemical bonding properties of four families of Ce2T2X (T = nd element; X = Mg, Cd, Pb or Sn) intermetallics crystallizing in an ordered U3Si2 type structure are shown from density functional theory (DFT) calculations to present electronic and magnetic structure properties arising from their peculiar valence electron count (VEC). Trends of the magnetism are discussed in terms of the characteristics of the Ce(4f) states as well as the energetic position of the transition metal element d states.Read less <
English Keywords
Rare earth intermetallics
Crystal chemistry of intermetallics
Electronic structure
Calculation
Origin
Hal imported