title: Electronic structure of the K3Bi2 metallic phase.
abstract: The electronic structure of K3Bi2 is discussed on the basis of first-principles DFT calculations. It is shown that the dimers are formally (Bi2)3-, even though this might seem to be in contradiction with the metallic character of the salt. The apparent puzzle is explained by the sizable participation of the K levels in the bonding.
authors.affiliation: Departament de Química Física and Centre de Recerca en Química Teorica, Universitat de Barcelona, Diagonal 647, 08028 Barcelona, Spain. alemany@qf.ub.es
authors.forename: Pere
authors.initials: P
authors.lastname: Alemany
authors.forename: Miquel
authors.initials: M
authors.lastname: Llunell
authors.forename: Enric
authors.initials: E
authors.lastname: Canadell