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Complex structure due to As bonding and interplay with electronic structure in superconducting BaNi2As2
Bing-Hua Lei, Yucheng Guo, Yaofeng Xie +3
BaNi2As2 is a superconductor chemically related to the Fe-based superconductors, with a complex and poorly understood structural phase transition. We show based on first principles…
Spin excitations and the Fermi surface of superconducting FeS
Haoran Man, Jiangang Guo, Rui Zhang +17
High-temperature superconductivity occurs near antiferromagnetic instabilities and nematic state. Debate remains on the origin of nematic order in FeSe and its relation with superc…
ThFeAsN in Relation to Other Iron-Based Superconductors
D. J. Singh
The electronic structure, magnetic and structural properties of the superconductor ThFeAsN are discussed in relation to the Fe-pnictide and Fe-chalcogenide superconductors based on…
Electronic structure, disconnected Fermi surfaces and antiferromagnetism in the layered pnictide superconductor NaBaTiSbO
D. J. Singh
We report electronic structure calculations for BaTiSbO and discuss the results in relation to the observed superconductivity of this material when hole doped with Na. The…
Spin Glass and Semiconducting Behavior in 1D BaFe2-δSe3 Crystals
Bayrammurad Saparov, Stuart Calder, Balazs Sipos +6
We investigate the physical properties and electronic structure of BaFe2-δSe3 crystals, which were grown out of tellurium flux. The crystal structure of the compound, an iron-defic…
Electronic Structure of Fe-Based Superconductors
D. J. Singh
The electronic structure of the Fe-based superconductors is discussed, mainly from the point of view of first principles calculations in relation to experimental data. Comparisons…