Dynamical correlations and screened exchange on the experimental bench: spectral properties of the cobalt pnictide BaCo2As2.
- van Roekeghem A 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.
- Ayral T 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.
- Tomczak JM Institute of Solid State Physics, Vienna University of Technology, A-1040 Vienna, Austria.
- Casula M 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.
- Xu N 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.
- Ding H 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.
- Ferrero M Centre de Physique Théorique, Ecole Polytechnique, CNRS UMR 7644, 91128 Palaiseau, France.
- Parcollet O Institut de Physique Théorique (IPhT), CEA, CNRS, URA 2306, 91191 Gif-sur-Yvette, France.
- Jiang H College of Chemistry and Molecular Engineering, Peking University, 100871 Beijing, China.
- Biermann S Centre de Physique Théorique, Ecole Polytechnique, CNRS UMR 7644, 91128 Palaiseau, France and Collège de France, 11 place Marcelin Berthelot, 75005 Paris, France.
- 2015-01-24
Published in:
- Physical review letters. - 2014
English
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.
- Language
-
- English
- Open access status
- green
- Identifiers
-
- DOI 10.1103/PhysRevLett.113.266403
- PMID 25615361
- Persistent URL
- https://sonar.ch/global/documents/186553
Statistics
Document views: 41
File downloads:
- Full-text: 0