TY - JOUR
T1 - Ab initio perspective on structural and electronic properties of iron-based superconductors
AU - Guterding, Daniel
AU - Backes, Steffen
AU - Tomić, Milan
AU - Jeschke, Harald Olaf
AU - Valentí, Roser
N1 - Funding Information:
The work presented in this review was made possible by the financial support provided by the German Research Foundation (Deutsche Forschungsgemeinschaft) through priority program SPP 1458. The authors thank Bernd B?chner, Rudi Hackl, Carsten Honerkamp, and Dirk Johrendt for initiating this priority program and for important discussions.
Publisher Copyright:
© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2017/1/1
Y1 - 2017/1/1
N2 - The discovery of iron pnictides and iron chalcogenides as a new class of unconventional superconductors in 2008 has generated an enormous amount of experimental and theoretical work that identifies these materials as correlated metals with multi-orbital physics, where magnetism, nematicity, and superconductivity are competing phases that appear as a function of pressure and doping. A microscopic understanding of the appearance of these phases is crucial in order to determine the nature of superconductivity in these systems. Here, we review our recent theoretical efforts to describe and understand from first principles the properties of iron pnictides and chalcogenides with special focus on (i) pressure dependence, (ii) effects of electronic correlation, and (iii) origin of magnetism and superconductivity.
AB - The discovery of iron pnictides and iron chalcogenides as a new class of unconventional superconductors in 2008 has generated an enormous amount of experimental and theoretical work that identifies these materials as correlated metals with multi-orbital physics, where magnetism, nematicity, and superconductivity are competing phases that appear as a function of pressure and doping. A microscopic understanding of the appearance of these phases is crucial in order to determine the nature of superconductivity in these systems. Here, we review our recent theoretical efforts to describe and understand from first principles the properties of iron pnictides and chalcogenides with special focus on (i) pressure dependence, (ii) effects of electronic correlation, and (iii) origin of magnetism and superconductivity.
KW - Dynamical mean-field theory
KW - density functional theory calculations
KW - iron pnictides
KW - iron selenide
KW - superconductivity
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U2 - 10.1002/pssb.201600164
DO - 10.1002/pssb.201600164
M3 - Article
AN - SCOPUS:84978187291
VL - 254
JO - Physica Status Solidi (B): Basic Research
JF - Physica Status Solidi (B): Basic Research
SN - 0370-1972
IS - 1
M1 - 1600164
ER -