TY - JOUR
T1 - Importance of itinerancy and quantum fluctuations for the magnetism in ironpnictides
AU - Zhang, Yu Zhong
AU - Lee, Hunpyo
AU - Opahle, Ingo
AU - Jeschke, Harald O.
AU - Valentí, Roser
N1 - Funding Information:
We gratefully acknowledge useful discussions and comments from L. Nordström and the Deutsche Forschungsgemeinschaft (DFG) for financial support through SFB/TRR 49, SPP 1458, Emmy Noether programs and the Helmholtz Association for support through HA216/EMMI.
Copyright:
Copyright 2011 Elsevier B.V., All rights reserved.
PY - 2011/5
Y1 - 2011/5
N2 - By applying density functional theory, we find strong evidence for an itinerant nature of magnetism in two families of iron pnictides. Furthermore, by employing dynamical mean field theory with continuous time quantum Monte Carlo as an impurity solver, we observe that the antiferromagnetic metal with small magnetic moment naturally arises out of coupling between unfrustrated and frustrated bands. Our results point to a possible scenario for magnetism in iron pnictides where magnetism originates from a strong instability at the momentum vector (π,π,π) while it is reduced by quantum fluctuations due to the coupling between weakly and strongly frustrated bands.
AB - By applying density functional theory, we find strong evidence for an itinerant nature of magnetism in two families of iron pnictides. Furthermore, by employing dynamical mean field theory with continuous time quantum Monte Carlo as an impurity solver, we observe that the antiferromagnetic metal with small magnetic moment naturally arises out of coupling between unfrustrated and frustrated bands. Our results point to a possible scenario for magnetism in iron pnictides where magnetism originates from a strong instability at the momentum vector (π,π,π) while it is reduced by quantum fluctuations due to the coupling between weakly and strongly frustrated bands.
KW - A. Superconductors
KW - C. Ab initio calculations
KW - D. Fermi surface
KW - D. Phase transitions
KW - D. Spin-density waves
UR - http://www.scopus.com/inward/record.url?scp=79955748600&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=79955748600&partnerID=8YFLogxK
U2 - 10.1016/j.jpcs.2010.10.005
DO - 10.1016/j.jpcs.2010.10.005
M3 - Article
AN - SCOPUS:79955748600
SN - 0022-3697
VL - 72
SP - 324
EP - 328
JO - Journal of Physics and Chemistry of Solids
JF - Journal of Physics and Chemistry of Solids
IS - 5
ER -