title: Multistep approach to microscopic models for frustrated quantum magnets: the case of the natural mineral azurite.
abstract: The natural mineral azurite Cu(3)(CO(3))(2)(OH)(2) is a frustrated magnet displaying unusual and controversially discussed magnetic behavior. Motivated by the lack of a unified description for this system, we perform a theoretical study based on density functional theory as well as state-of-the-art numerical many-body calculations. We propose an effective generalized spin-1/2 diamond chain model which provides a consistent description of experiments: low-temperature magnetization, inelastic neutron scattering, nuclear magnetic resonance measurements, magnetic susceptibility as well as new specific heat measurements. With this study we demonstrate that the balanced combination of first principles with powerful many-body methods successfully describes the behavior of this frustrated material.
authors.affiliation: Institut für Theoretische Physik, Goethe-Universität Frankfurt am Main, 60438 Frankfurt am Main, Germany.
authors.forename: Harald
authors.initials: H
authors.lastname: Jeschke
authors.forename: Ingo
authors.initials: I
authors.lastname: Opahle
authors.forename: Hem
authors.initials: H
authors.lastname: Kandpal
authors.forename: Roser
authors.initials: R
authors.lastname: Valentí
authors.forename: Hena
authors.initials: H
authors.lastname: Das
authors.forename: Tanusri
authors.initials: T
authors.lastname: Saha-Dasgupta
authors.forename: Oleg
authors.initials: O
authors.lastname: Janson
authors.forename: Helge
authors.initials: H
authors.lastname: Rosner
authors.forename: Andreas
authors.initials: A
authors.lastname: Brühl
authors.forename: Bernd
authors.initials: B
authors.lastname: Wolf
authors.forename: Michael
authors.initials: M
authors.lastname: Lang
authors.forename: Johannes
authors.initials: J
authors.lastname: Richter
authors.forename: Shijie
authors.initials: S
authors.lastname: Hu
authors.forename: Xiaoqun
authors.initials: X
authors.lastname: Wang
authors.forename: Robert
authors.initials: R
authors.lastname: Peters
authors.forename: Thomas
authors.initials: T
authors.lastname: Pruschke
authors.forename: Andreas
authors.initials: A
authors.lastname: Honecker