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Dynamical correlations and screened exchange on the experimental bench: Spectral properties of the cobalt pnictide BaCo2As2

  • Ambroise Van Roekeghem
  • , Thomas Ayral
  • , Jan M. Tomczak
  • , Michele Casula
  • , Nan Xu
  • , Hong Ding
  • , Michel Ferrero
  • , Olivier Parcollet
  • , Hong Jiang
  • , Silke Biermann

Résultats de recherche: Contribution à un journalArticleRevue par des pairs

Résumé

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.

langue originaleAnglais
Numéro d'article266403
journalPhysical Review Letters
Volume113
Numéro de publication26
Les DOIs
étatPublié - 24 déc. 2014

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