Abstract
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.
| Original language | English |
|---|---|
| Article number | 1600164 |
| Journal | Physica Status Solidi (B) Basic Research |
| Volume | 254 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - Jan 1 2017 |
| Externally published | Yes |
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Keywords
- density functional theory calculations
- Dynamical mean-field theory
- iron pnictides
- iron selenide
- superconductivity
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
Cite this
Ab initio perspective on structural and electronic properties of iron-based superconductors. / Guterding, Daniel; Backes, Steffen; Tomić, Milan; Jeschke, Harald Olaf; Valentí, Roser.
In: Physica Status Solidi (B) Basic Research, Vol. 254, No. 1, 1600164, 01.01.2017.Research output: Contribution to journal › Article
}
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
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 - density functional theory calculations
KW - Dynamical mean-field theory
KW - iron pnictides
KW - iron selenide
KW - superconductivity
UR - http://www.scopus.com/inward/record.url?scp=84978187291&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84978187291&partnerID=8YFLogxK
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 -