Trends in pressure-induced layer-selective half-collapsed tetragonal phases in the iron-based superconductor family AeAFe4As4

Borisov, Vladislav; Canfield, Paul C.; Valentí, Roser

doi:10.1103/PhysRevB.98.064104

Title: Trends in pressure-induced layer-selective half-collapsed tetragonal phases in the iron-based superconductor family $A e A {Fe}_{4} {As}_{4}$

Journal Article · Fri Aug 24 00:00:00 EDT 2018 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.98.064104· OSTI ID:1469156

Borisov, Vladislav ^[1]; Canfield, Paul C. ^[2]; Valentí, Roser ^[1]

Goethe Univ. Frankfurt (Germany). Inst. of Theoretical Physics
Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy

In this paper, by performing pressure simulations within density functional theory for the family of iron-based superconductors $A e A {Fe}_{4} {As}_{4}$ with $A e = Ca$ , Sr, Ba and $A = K$ , Rb, Cs we predict in these systems the appearance of two consecutive half-collapsed tetragonal transitions at pressures $P_{c_{1}}$ and $P_{c_{2}}$ , which have a different character in terms of their effect on the electronic structure. We find that, similar to previous studies for ${CaKFe}_{4} {As}_{4}$ , 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. The intriguing cases of ${EuRbFe}_{4} {As}_{4}$ and ${EuCsFe}_{4} {As}_{4}$ , where Eu magnetism coexists with superconductivity, are discussed as well in the context of half-collapsed phases.

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Research Organization:: Ames Lab. and Iowa State Univ., Ames, IA (United States); Goethe Univ. Frankfurt (Germany)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Gordon and Betty Moore Foundation (United States); German Research Foundation (DFG)

Grant/Contract Number:: AC02-07CH11358; GBMF4411

OSTI ID:: 1469156

Alternate ID(s):: OSTI ID: 1466433

Report Number(s):: IS-J 9732

Journal Information:: Physical Review B, Vol. 98, Issue 6; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 16 works

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Title: Trends in pressure-induced layer-selective half-collapsed tetragonal phases in the iron-based superconductor family A e A Fe 4 As 4

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Title: Trends in pressure-induced layer-selective half-collapsed tetragonal phases in the iron-based superconductor family $A e A {Fe}_{4} {As}_{4}$