Electronic Structure, Magnetism and Superconductivity of Layered Iron Compounds

Conference · Thu Jan 01 00:00:00 EST 2009

OSTI ID:968276

Singh, David J ^[1]; Du, Mao-Hua ^[1]; Zhang, Lijun ^[1]; Subedi, Alaska P ^[1]; An, Jiming ^[1]

---

1. ORNL

The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe (Se, Te) have closely related electronic structures. The Fermi surface consists of disconnected hole and electron cylinders and additional hole sections that depend on the specific material. This places the materials in proximity to itinerant magnetism, both due to the high density of states and due to nesting. Comparison of density functional results and experiment provides strong evidence for itinerant spin fluctuations, which are discussed in relation to superconductivity. It is proposed that the intermediate phase between the structural transition and the SDW transition in the oxy-pnictides is a nematic phase.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: DE-AC05-00OR22725
• OSTI ID: 968276
• Resource Relation: Conference: ISS2008, Tsukuba, Japan, 20081026, 20081029
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ELECTRONIC STRUCTURE
FERMI LEVEL
IRON COMPOUNDS
MAGNETISM
SUPERCONDUCTIVITY
DENSITY FUNCTIONAL METHOD
SPIN
FLUCTUATIONS