Publication Date

8-1-2018

Department

Physics and Astronomy; Ames Laboratory

Campus Units

Physics and Astronomy, Ames Laboratory

OSTI ID+

1469156

Report Number

IS-J 9732

DOI

10.1103/PhysRevB.98.064104

Journal Title

Physical Review B

Volume Number

98

Issue Number

6

First Page

064104

Abstract

By performing pressure simulations within density functional theory for the family of iron-based superconductors AeAFe4As4 with Ae=Ca, Sr, Ba and A=K, Rb, Cs we predict in these systems the appearance of two consecutive half-collapsed tetragonal transitions at pressures Pc1 and Pc2, which have a different character in terms of their effect on the electronic structure. We find that, similar to previous studies for CaKFe4As4, spin-vortex magnetic fluctuations on the Fe sublattice play a key role for an accurate structure prediction in these materials at zero pressure. We identify clear trends of critical pressures and discuss the relevance of the collapsed phases in connection to magnetism and superconductivity. Finally, the intriguing cases of EuRbFe4As4 and EuCsFe4As4, where Eu magnetism coexists with superconductivity, are discussed as well in the context of half-collapsed phases.

DOE Contract Number(s)

AC02-07CH11358; GBMF4411

Language

en

Department of Energy Subject Categories

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Publisher

Iowa State University Digital Repository, Ames IA (United States)

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