title: Rare-earth pnictides and chalcogenides from first-principles.
abstract: This review tries to establish what is the current understanding of the rare-earth monopnictides and monochalcogenides from first principles. The rock salt structure is assumed for all the compounds in the calculations and wherever possible the electronic structure/properties of these compounds, as obtained from different ab initio methods, are compared and their relation to the experimental evidence is discussed. The established findings are summarised in a set of conclusions and provide outlook for future study and possible design of new materials.
authors.affiliation: Daresbury Laboratory, Daresbury, Warrington WA4 4AD, UK.
authors.forename: L
authors.initials: L
authors.lastname: Petit
authors.forename: Z
authors.initials: Z
authors.lastname: Szotek
authors.forename: M
authors.initials: M
authors.lastname: Lüders
authors.forename: A
authors.initials: A
authors.lastname: Svane