ThFeAsN in Relation to Other Iron-Based Superconductors

Abstract

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 results of first principles calculations. The electronic structure is that of a high density of states semimetal. It shows approximately nested hole and electron Fermi surfaces of Fe $d$ character involving the $xz,yz$ and $xy$ orbitals. There is a strong tendency towards magnetism at the GGA level, and this magnetism is important for describing the Fe-As bonding, but greatly overestimates the magnetic ordering. The lowest energy magnetic state at the GGA level is the stripe order, and this particular order couples strongly to electrons near $E_F$. ThFeAsN is therefore strongly similar to the Fe-pnictide family of superconductors, although it is a particularly anisotropic member.

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Cited by in corpus (10)

• Break-junction technique in application to layered superconductors (Review article)
• A brief review on muSR studies of unconventional Fe and Cr-based superconductors
• Multigap superconductivity in ThAsFeN investigated using muSR measurements
• High-$T_{\mathrm{c}}$ superconductivity in undoped ThFeAsN
• Neutron powder diffraction study on the iron-based nitride superconductor ThFeAsN
• Peculiar Phase Diagram with Isolated Superconducting Regions in ThFeAsN${}_{1-x}$O${}_x$
• Electronic structure, lattice dynamics and magnetism of new ThXAsN (X=Fe,Co,Ni) superconductors: A First Principles Study
• Exploring multichannel superconductivity in ThFeAsN
• Pressure induced antiferromagnetic-tetragonal to nonmagnetic-collapse-tetragonal insulator-metal transition in ThMnAsN
• Neutron powder diffraction study on the non-superconducting phases of ThFeAsN${}_{1-x}$O${}_x$ ($x=0.15,0.6$) iron pnictide