title: Dynamical correlations and screened exchange on the experimental bench: spectral properties of the cobalt pnictide BaCo2As2.
abstract: Understanding the Fermi surface and low-energy excitations of iron or cobalt pnictides is crucial for assessing electronic instabilities such as magnetic or superconducting states. Here, we propose and implement a new approach to compute the low-energy properties of correlated electron materials, taking into account both screened exchange beyond the local density approximation and local dynamical correlations. The scheme allows us to resolve the puzzle of BaCo2As2, for which standard electronic structure techniques predict a ferromagnetic instability not observed in nature.
authors.affiliation: Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China and Centre de Physique Théorique, Ecole Polytechnique, CNRS UMR 7644, 91128 Palaiseau, France.
authors.forename: Ambroise
authors.initials: A
authors.lastname: van Roekeghem
authors.affiliation: Centre de Physique Théorique, Ecole Polytechnique, CNRS UMR 7644, 91128 Palaiseau, France and Institut de Physique Théorique (IPhT), CEA, CNRS, URA 2306, 91191 Gif-sur-Yvette, France.
authors.forename: Thomas
authors.initials: T
authors.lastname: Ayral
authors.affiliation: Institute of Solid State Physics, Vienna University of Technology, A-1040 Vienna, Austria.
authors.forename: Jan M
authors.initials: JM
authors.lastname: Tomczak
authors.affiliation: CNRS and Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Université Pierre et Marie Curie, case 115, 4 place Jussieu, FR-75252 Paris Cedex 05, France.
authors.forename: Michele
authors.initials: M
authors.lastname: Casula
authors.affiliation: Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China and Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen, Switzerland.
authors.forename: Nan
authors.initials: N
authors.lastname: Xu
authors.affiliation: Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China and Collaborative Innovation Center of Quantum Matter, Beijing 100190, China.
authors.forename: Hong
authors.initials: H
authors.lastname: Ding
authors.affiliation: Centre de Physique Théorique, Ecole Polytechnique, CNRS UMR 7644, 91128 Palaiseau, France.
authors.forename: Michel
authors.initials: M
authors.lastname: Ferrero
authors.affiliation: Institut de Physique Théorique (IPhT), CEA, CNRS, URA 2306, 91191 Gif-sur-Yvette, France.
authors.forename: Olivier
authors.initials: O
authors.lastname: Parcollet
authors.affiliation: College of Chemistry and Molecular Engineering, Peking University, 100871 Beijing, China.
authors.forename: Hong
authors.initials: H
authors.lastname: Jiang
authors.affiliation: Centre de Physique Théorique, Ecole Polytechnique, CNRS UMR 7644, 91128 Palaiseau, France and Collège de France, 11 place Marcelin Berthelot, 75005 Paris, France.
authors.forename: Silke
authors.initials: S
authors.lastname: Biermann