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.
Document type :
Preprints, Working Papers, ...
Complete list of metadatas

https://hal-cea.archives-ouvertes.fr/cea-01058940
Contributor : Emmanuelle de Laborderie <>
Submitted on : Thursday, August 28, 2014 - 4:34:22 PM
Last modification on : Thursday, November 14, 2019 - 4:58:06 PM

Links full text

Identifiers

  • HAL Id : cea-01058940, version 1
  • ARXIV : 1408.3136

Citation

Ambroise van Roekeghem, Thomas Ayral, Jan M. Tomczak, Michele Casula, Nan Xu, et al.. Dynamical correlations and screened exchange on the experimental bench: spectral properties of the cobalt pnictide BaCo2As2. 2014. ⟨cea-01058940⟩

Share

Metrics

Record views

311