TY - JOUR
T1 - Dynamical correlations and screened exchange on the experimental bench
T2 - Spectral properties of the cobalt pnictide BaCo2As2
AU - Van Roekeghem, Ambroise
AU - Ayral, Thomas
AU - Tomczak, Jan M.
AU - Casula, Michele
AU - Xu, Nan
AU - Ding, Hong
AU - Ferrero, Michel
AU - Parcollet, Olivier
AU - Jiang, Hong
AU - Biermann, Silke
N1 - Publisher Copyright:
© 2014 American Physical Society.
PY - 2014/12/24
Y1 - 2014/12/24
N2 - 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.
AB - 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.
U2 - 10.1103/PhysRevLett.113.266403
DO - 10.1103/PhysRevLett.113.266403
M3 - Article
AN - SCOPUS:84919884288
SN - 0031-9007
VL - 113
JO - Physical Review Letters
JF - Physical Review Letters
IS - 26
M1 - 266403
ER -